SCHEMBL9386337

SCHEMBL9386337

N[C@H](Cc1ccccc1)C(=O)Nc1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CIT O14578 1/20 0.47
AKT1 P31749 1/20 0.46
CTSC P53634 1/20 0.46
SLC15A1 P46059 1/20 0.46
BACE1 P56817 2/20 0.44
LTA4H P09960 1/20 0.43
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 2/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL2309960 1.00 GPR142 (0.48) GPR142ALPIPKMPTGS1XIAP
SCHEMBL2309947 1.00 GPR142 (0.48) GPR142ALPIPKMPTGS1XIAP
SCHEMBL3004830 0.80 CIT (0.54) GPR142CITAKT1BACE1LTA4H
SCHEMBL3004819 0.80 CIT (0.54) GPR142CITAKT1BACE1LTA4H
SCHEMBL7094901 0.79 ROCK2 (0.46) GPR142ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3002276 0.77 ROCK1 (0.49) GPR142CITAKT1BACE1ROCK2
Hydrochloric Acid SCHEMBL3002263 0.77 ROCK1 (0.49) GPR142CITAKT1BACE1ROCK2
SCHEMBL13715679 0.76 MMP3 (0.56)
SCHEMBL2528923 0.76 ALDH1A1 (0.54) HDAC8
SCHEMBL13411762 0.76 ALPL (0.32)

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
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP claimed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO claimed