SCHEMBL654794

SCHEMBL654794

O=C(Cl)c1ccc(Cl)cc1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
ABL1 P00519 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
P2RX1 P51575 2/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL699001 0.83 ALDH1A1 (0.68) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL5732135 0.83 SMN1; SMN2 (0.68) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL107060 0.83 SMN1; SMN2 (0.68) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL5129370 0.82 ABL1 (0.64) ALDH1A1CASP1SMN1; SMN2KDM4ECA1
SCHEMBL1957006 0.82 ABL1 (0.64) ALDH1A1CASP1SMN1; SMN2KDM4ECA1
SCHEMBL284068 0.81 ALDH1A1 (0.56) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL4880939 0.81 CA1 (0.52) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL30349584 0.81 ALDH1A1 (0.56) ALDH1A1TP53TSHRCASP1SMN1; SMN2
SCHEMBL29769239 0.81 CA1 (0.69) TP53TSHRSMN1; SMN2CA1CA2
SCHEMBL4955043 0.81 CA1 (0.69) TP53TSHRSMN1; SMN2CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5233054-A Dehydrogenating, brominating the halogen substituted hexa- or tetra-hydrophthalic anhydride in the presence of free radical catalysts OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US claimed
EP-0253837-B1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1991-10-09 EP claimed
EP-0252964-B1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1991-08-21 EP claimed
EP-0253838-B1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING N-SEC-ALKYL PYRIDINIUM SALTS MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1991-08-21 EP claimed
EP-0417691-A2 Process for the preparation of halophthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 EP claimed
US-4973771-A Phase transfer catalysts MALLINCKRODT, INC. (US) 1990-11-27 US claimed
US-4973772-A Catalytic method for producing fluoroarmatic compounds using substituted pyridinium salts MALLINCKRODT, INC. (US) 1990-11-27 US claimed
EP-0253836-B1 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-10-03 EP claimed
US-4927980-A REACTING CHLOROAROMATIC COMPOUND WITH ALKALI METAL FLUORIDE SALTS MALLINCKRODT INC. (US) 1990-05-22 US claimed
US-4849552-A METHANOL, AROMATIC HYDROCARBON OR HALOCARBON, AZEOTROPES MALLINCKRODT, INC. (US) 1989-07-18 US claimed
EP-0252964-A4 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-07-14 EP claimed
EP-0253836-A4 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. MALLINCKRODT INC (US) 1988-04-27 EP claimed
EP-0253837-A4 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-04-26 EP claimed
EP-0253836-A1 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. MALLINCKRODT INC (US) 1988-01-27 EP claimed
EP-0253837-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-01-27 EP claimed
EP-0252964-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-01-20 EP claimed
WO-1987004148-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS MALLINCKRODT, INC. (US) 1987-07-16 WO claimed
WO-1987004151-A1 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE MALLINCKRODT, INC. (US) 1987-07-16 WO claimed
WO-1987004149-A1 PHASE TRANSFER CATALYSTS MALLINCKRODT, INC. (US) 1987-07-16 WO claimed
WO-1987004150-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS MALLINCKRODT, INC. (US) 1987-07-16 WO claimed