SCHEMBL17624291

SCHEMBL17624291

Cc1cccc(C(=O)c2nn(Cc3ccccc3)c3ccc(Br)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.53
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ VNN1 O95497 1/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ PTGER1 P34995 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 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
SCHEMBL17608449 0.84 PTGER4 (0.51) ELANEPTGDR2PTGER4F2RL3MCL1
SCHEMBL17624218 0.82 HSD11B1 (0.46) ELANEPTGDR2PTGER4
SCHEMBL1216862 0.81 CYP1A2 (0.51) ELANEPTGDR2PLA2G2APTGER4PTGER1
SCHEMBL17608697 0.81 AR (0.43) ELANEPTGDR2VNN1PTGER4F2RL3
SCHEMBL1214836 0.79 ELANE (0.64) ELANEPTGDR2PLA2G2APTGER4MCL1
SCHEMBL17608485 0.77 ADRA1A (0.43) ELANEPTGDR2PLA2G2APTGER1NR1H2
SCHEMBL17608381 0.75 ELANE (0.46) ELANEPTGDR2PLA2G2APTGER4F2RL3
SCHEMBL4481117 0.75 PTGER4 (0.54) PTGER4F2RL3
SCHEMBL30602811 0.72 PTGDR2 (0.46) PTGDR2PLA2G2APTGER4NR1H2NR1H3
SCHEMBL1217296 0.71 CNR1 (0.57) PTGDR2PLA2G2APTGER4

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
WO-2016041618-A1 SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2016-03-24 — — WO disclosed
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