SCHEMBL3714404

SCHEMBL3714404

COc1ccc(-c2noc3c(O)c(C(=O)C(N)C(=O)O)nc(C#N)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.39
ADORA2A P29274 3/20 0.39
TPH1 P17752 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE3A Q14432 1/20 0.38
THRB P10828 1/20 0.37
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL3660963 0.88 PTGS2 (0.41) ADORA1ADORA2APTGS1PTGS2PDE3A
SCHEMBL3717801 0.87 ADORA1 (0.36) ADORA1ADORA2ATPH1ALDH1A1EGLN2
SCHEMBL3714165 0.86 TPH1 (0.40) TPH1PTGS1PTGS2PDE3ANR4A2
SCHEMBL3715648 0.85 NR4A2 (0.44) ADORA1ADORA2ATPH1PTGS1PTGS2
SCHEMBL3711503 0.82 PTGS2 (0.40) TPH1PTGS1PTGS2PDE3ANR4A2
SCHEMBL2777586 0.82 TARBP2 (0.47) PTGS1PTGS2PDE3ATHRBKDM4E
SCHEMBL2776313 0.81 EGLN1 (0.46) PTGS1PTGS2PDE3ATHRBKDM4E
SCHEMBL3717499 0.79 ERBB2 (0.33) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL3716789 0.79 TPH1 (0.35) ADORA1ADORA2ATPH1ALDH1A1EGLN2
SCHEMBL3712146 0.78 PTGS1 (0.31) PTGS1PTGS2

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-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed