SCHEMBL7089637

SCHEMBL7089637

CC1Oc2ccc(C(C)(NC(=O)OC(C)(C)C)c3cccs3)cc2NC1=S

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK10 P53779 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
SCHEMBL7711428 0.90 PARP1 (0.39) ALDH1A1MAPK10
SCHEMBL7708245 0.89 SMN1; SMN2 (0.31) ALDH1A1
SCHEMBL7711396 0.87 CTSK (0.32)
SCHEMBL7708010 0.84 MAPK10 (0.30) MAPK10
SCHEMBL7094003 0.84 ADORA2B (0.32)
SCHEMBL7096395 0.83 NPC1 (0.33) ALDH1A1MAPK10
SCHEMBL7713259 0.82 USP2 (0.39) ALDH1A1
SCHEMBL7093805 0.81 NAMPT (0.36) ALDH1A1
SCHEMBL7711367 0.81 USP2 (0.38)
SCHEMBL7094456 0.80 SSTR4 (0.35) MAPK10

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed