SCHEMBL7738115

SCHEMBL7738115

ClP(Cl)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX15 P16050 5/20 0.38
▸ ALOX12 P18054 3/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ AKR1B1 P15121 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AKR1C4 P17516 1/20 0.31

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
Tromethamine SCHEMBL8839301 0.82 MEN1 (0.33) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL8129030 0.79 TDP1 (0.39) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL3803700 0.69 TDP1 (0.45) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL94118 0.69 KLK1 (0.45) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL11451272 0.69 TSHR (0.39) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL27503034 0.67 TSHR (0.43) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL9241719 0.67 KLK1 (0.48) TDP1CYP3A4TSHRMEN1MAPT
SCHEMBL9240974 0.67 KLK1 (0.53) TDP1CYP3A4TSHRMEN1KMT2A
SCHEMBL28973883 0.65 TDP1 (0.41) TDP1CYP3A4TSHRALOX15ALOX12
SCHEMBL301662 0.65 HSD17B10 (0.59) TDP1CYP3A4TSHRALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948514-A4 METHOD FOR THE SYNTHESIS OF NUCLEOTIDE OR OLIGONUCLEOTIDE PHOSPHORAMIDITES ISIS PHARMACEUTICALS INC (US) 2001-10-24 — — EP disclosed
EP-0948514-A1 METHOD FOR THE SYNTHESIS OF NUCLEOTIDE OR OLIGONUCLEOTIDE PHOSPHORAMIDITES ISIS PHARMACEUTICALS, INC. (US) 1999-10-13 — — EP disclosed
WO-1998029429-A1 METHOD FOR THE SYNTHESIS OF NUCLEOTIDE OR OLIGONUCLEOTIDE PHOSPHORAMIDITES ISIS PHARMACEUTICALS, INC. (US) 1998-07-09 — — WO disclosed
Send feedback