SCHEMBL6999811

SCHEMBL6999811

CCC(=O)c1ccc2c(c1)NC(N)=C(C)O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALOX5 P09917 5/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6996806 0.89 ALDH1A1 (0.53) ATMMAPTRXFP1ALOX5ALDH1A1
SCHEMBL7002378 0.87 PKM (0.47) MAPTALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6996551 0.83 ALDH1A1 (0.45) MAPTRXFP1ALOX5ALDH1A1SMN1; SMN2
SCHEMBL8113447 0.81 ALDH1A1 (0.43) ATMMAPTRXFP1ALOX5ALDH1A1
SCHEMBL5670589 0.72 AHR (0.39) MAPTALDH1A1SMN1; SMN2HTR7HTR2B
SCHEMBL6996657 0.71 SLC6A4 (0.35)
SCHEMBL10652999 0.71 MAPT (0.78) MAPTRXFP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6992556 0.71 ALOX5 (0.49) MAPTALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6992552 0.71 ALOX5 (0.49) MAPTALOX5ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5672533 0.71 AHR (0.38) MAPTSMN1; SMN2HTR7HTR2B

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 4 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
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