SCHEMBL6991202

SCHEMBL6991202

CC1=C(N)Nc2cc(C(N)C(=O)OC(C)(C)CCc3ccccc3Cl)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.30
NPC1 O15118 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
SCHEMBL6993987 0.91 IDO1 (0.32)
SCHEMBL6990231 0.90 ALOX5 (0.33) ALOX5
SCHEMBL6999943 0.88 ALOX5 (0.32) ALOX5
SCHEMBL8137237 0.88 ALOX5 (0.35) ALOX5
SCHEMBL6996470 0.87 ALDH1A1 (0.34) ALOX5KMT2A
SCHEMBL7001710 0.86 FFAR1 (0.32)
SCHEMBL7002041 0.86 CYP3A4 (0.39) ALOX5
SCHEMBL7001571 0.85 GRM2 (0.34) ALOX5MEN1NPC1KMT2A
SCHEMBL6994308 0.84 CYP3A4 (0.32) ALOX5
SCHEMBL6993302 0.84 ALOX5 (0.32) ALOX5

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
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed