SCHEMBL7863946

SCHEMBL7863946

COC(=O)c1cc(Cl)c(C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ABL1 P00519 1/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGS2 P35354 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HPGD P15428 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL14590043 0.90 GAA (0.47) GAAABL1LMNAMEN1KMT2A
SCHEMBL16662001 0.90 GAA (0.51) GAAABL1LMNAMEN1KMT2A
SCHEMBL70011 0.89 GAA (0.58) GAAABL1LMNAMEN1KMT2A
SCHEMBL18432300 0.88 GAA (0.46) GAAABL1LMNAMEN1KMT2A
SCHEMBL19045818 0.88 GAA (0.50) GAAABL1LMNAMEN1KMT2A
SCHEMBL13880427 0.86 GAA (0.51) GAAABL1LMNAMEN1KMT2A
SCHEMBL19328690 0.85 GAA (0.55) GAAABL1LMNAMEN1KMT2A
SCHEMBL168271 0.85 CA12 (0.50) GAAABL1LMNASMN1; SMN2HTT
SCHEMBL3689533 0.83 GAA (0.46) GAAABL1LMNAMEN1KMT2A
SCHEMBL17239556 0.83 CFTR (0.43) GAAABL1LMNAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO disclosed
US-6303812-B1 ADDING WATER TO A MIXTURE CONTAINING A CUPROUS HALIDE, CUPROUS ACETATE OR PROPIONATE, AND CERTAIN DEHALOGENATED AROMATIC PRODUCTS, SUCH AS METHYL 3,5-DICHLORO-4-METHYLBENZOATE, CAUSES THE MIXTURE TO SEPARATE INTO ORGANIC AND AQUEOUS PHASES OCCIDENTAL CHEMICAL CORPORATION 2001-10-16 US disclosed
US-6118018-A Chlorination and bromination of aromatic compounds at atmospheric pressure OCCIDENTAL CHEMICAL CORPORATION (US) 2000-09-12 US disclosed
US-5886210-A Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
EP-0825173-A1 Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1998-02-25 EP disclosed