SCHEMBL3722940

SCHEMBL3722940

C#Cc1nc(C(=O)C(N)C(=O)O)c(O)c2c(-c3ccc(Cl)cc3)noc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.32
DHODH Q02127 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3717499 0.90 ERBB2 (0.33) GPBAR1DHODHDPP4DPP7MEN1
SCHEMBL3717749 0.84 GPBAR1 (0.38) GPBAR1DHODHDPP4DPP7MEN1
SCHEMBL3714390 0.84 DHODH (0.36) GPBAR1DHODHDPP4DPP7MEN1
SCHEMBL2775745 0.80 EGLN1 (0.43) CYP2C19
SCHEMBL3716789 0.80 TPH1 (0.35) MEN1KMT2A
SCHEMBL3721279 0.74 EGLN1 (0.39) GPBAR1KMT2A
SCHEMBL3722988 0.74 TPH1 (0.39) GPBAR1DHODHCA1CA2CA4
SCHEMBL3717801 0.73 ADORA1 (0.36)
SCHEMBL3711503 0.72 PTGS2 (0.40) GPBAR1
SCHEMBL2775720 0.70 EGLN1 (0.47)

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