SCHEMBL7003142

SCHEMBL7003142

CCOC(=O)C(C)Oc1cc2c(cc1[N+](=O)[O-])C1CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 10/20 0.37
PPOX P50336 1/20 0.37
MAPT P10636 6/20 0.36
GPR174 Q9BXC1 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
NR5A1 Q13285 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
SCHEMBL6995241 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6999500 0.77 ALDH1A1 (0.42) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6994344 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6999409 0.76 MAPT (0.47) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL6996661 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6994446 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6993182 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1PPOXMAPTGPR174
SCHEMBL6992204 0.75 RXRA (0.40) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL13681704 0.74 MAPT (0.54) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL12992039 0.74 MAPT (0.54) L3MBTL1ALDH1A1MAPTLMNAKDM4E

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