SCHEMBL6992204

SCHEMBL6992204

CCOC(=O)C(C)Oc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HNF4A P41235 2/20 0.38
LMNA P02545 1/20 0.38
NR5A1 Q13285 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.78 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL6999500 0.78 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL12992039 0.78 MAPT (0.54) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL13681704 0.78 MAPT (0.54) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL6993182 0.77 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL6994344 0.77 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL6999409 0.77 MAPT (0.47) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL6994446 0.77 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL6996661 0.77 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1MAPTMAPK1
SCHEMBL7003142 0.75 L3MBTL1 (0.38) ALDH1A1HPGDL3MBTL1MAPTMAPK1

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