SCHEMBL4446735

SCHEMBL4446735

N#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.53
KMO O15229 1/20 0.51
KDM4C Q9H3R0 4/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49

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
SCHEMBL1329694 0.99 XDH (0.54) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1329554 0.97 XDH (0.53) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1331331 0.89 XDH (0.55) XDHKMOKDM4C
SCHEMBL3387162 0.89 KMO (0.56) XDHKMOKDM4C
SCHEMBL1329552 0.88 XDH (0.45) XDHKMOKDM4CKDM4AKDM5C
SCHEMBL3383379 0.86 XDH (0.55) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1330582 0.86 KDM4E (0.52) XDHKDM4CKDM4EKDM6BKDM5C
SCHEMBL10092841 0.84 XDH (0.57) XDHKMOKDM4CKDM4E
SCHEMBL1330401 0.83 XDH (0.50) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1331700 0.82 KDM4C (0.52) XDHKMOKDM4CKDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed