SCHEMBL9212726

SCHEMBL9212726

Brc1ccc2ccc3ccccc3c2c1-c1c(Br)ccc2ccc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ CYP2A6 P11509 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPRT1 P00492 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ HIF1A Q16665 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1B1 Q16678 3/20 0.41
▸ NQO2 P16083 2/20 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
SCHEMBL30361992 0.83 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL1239327 0.83 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL28254252 0.82 POLB (0.48) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL1377286 0.80 HSD17B10 (0.50) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL662611 0.79 ALDH1A1 (0.54) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL1373385 0.77 ALDH1A1 (0.58) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL27047549 0.77 HPRT1 (0.50) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL30065106 0.77 ALDH1A1 (0.58) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535635 0.77 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL30374792 0.77 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118282-A — — None — — JP disclosed
JP-H07118282-A PHOSPHINE COMPOUND AND TRANSITION METAL COMPLEX CONTAINING THE COMPOUND AS LIGAND SUMITOMO CHEM CO LTD 1995-05-09 — — JP disclosed
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