SCHEMBL6993228

SCHEMBL6993228

CC1=C(N)Nc2cc(C(N)C(=O)OC(C)(C)CCc3ccc(S(N)(=O)=O)cc3)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.34
CA1 P00915 13/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 7/20 0.32
CA9 Q16790 7/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HAT1 O14929 1/20 0.31
EP300 Q09472 1/20 0.31

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
SCHEMBL8113338 0.93
SCHEMBL6994308 0.90 CYP3A4 (0.32)
SCHEMBL6993302 0.90 ALOX5 (0.32)
SCHEMBL7002397 0.89 ALOX5 (0.31)
SCHEMBL7002041 0.89 CYP3A4 (0.39) KDM4E
SCHEMBL8137237 0.89 ALOX5 (0.35)
SCHEMBL7000917 0.88 AR (0.32) KMT2A
SCHEMBL7001863 0.87 ALDH1A1 (0.33) MEN1KMT2AKDM4E
SCHEMBL6998556 0.87
SCHEMBL7001710 0.85 FFAR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed