SCHEMBL8565372

SCHEMBL8565372

Cc1nc2cc[nH]c(Cc3ccc(S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)OCc4ccccc4)cc3)c-2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.41
S1PR4 O95977 2/20 0.35
S1PR1 P21453 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADAMTS5 Q9UNA0 2/20 0.34
POLB P06746 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ATM Q13315 1/20 0.34
ITGA4 P13612 1/20 0.33
MAPT P10636 1/20 0.33
CA5A P35218 1/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8561481 0.91 PTAFR (0.49) PTAFRKMT2AALDH1A1POLBITGA4
SCHEMBL8569673 0.88 PTAFR (0.38) PTAFRALDH1A1ADAMTS5ADAMTS4MMP2
SCHEMBL8563029 0.87 PTAFR (0.41) PTAFRALDH1A1
SCHEMBL8568591 0.87 PTAFR (0.41) PTAFRALDH1A1
SCHEMBL8565374 0.82 PTAFR (0.33) PTAFRADAMTS5
SCHEMBL8563698 0.82 PTAFR (0.36) PTAFR
SCHEMBL8570622 0.81 PTAFR (0.35) PTAFR
SCHEMBL8569517 0.81 PTAFR (0.35) PTAFR
SCHEMBL8565735 0.81 PTAFR (0.39) PTAFRKMT2AALDH1A1POLBTP53
SCHEMBL8562738 0.80 PTAFR (0.36) PTAFRKMT2AALDH1A1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP claimed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP claimed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO claimed
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP disclosed
US-5446032-A Platelet activsating factor antagonist BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-08-29 US disclosed