SCHEMBL9566880

SCHEMBL9566880

CCc1ccc2c(C)c(Cc3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PARP1 P09874 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL9311173 0.89 PARP1 (0.45) POLBKMT2AMEN1MAPTPARP1
SCHEMBL9566907 0.80 AR (0.41) POLBKMT2AMEN1MAPTPARP1
SCHEMBL27532886 0.77 KIF11 (0.50) MAPTPARP1TSHRCYP2C9KIF11
SCHEMBL9309057 0.74 PARP1 (0.48) KMT2AMEN1PARP1KIF11
SCHEMBL27409224 0.74 KIF11 (0.44) POLBKMT2AMEN1MAPTTSHR
SCHEMBL132216 0.74 TSHR (0.67) POLBKMT2AMEN1MAPTMAOB
SCHEMBL29385659 0.74 TSHR (0.67) POLBKMT2AMEN1MAPTMAOB
SCHEMBL27410225 0.73 DAO (0.49) MAPTPARP1TSHRCYP2C9KIF11
SCHEMBL27413780 0.71 KIF11 (0.46) POLBMAPTTSHRCYP2C9KIF11
SCHEMBL17505145 0.71 ALDH1A1 (0.57) POLBKMT2AMEN1MAPTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 — — EP disclosed
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