SCHEMBL7823456

SCHEMBL7823456

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.44
CYP19A1 P11511 3/20 0.43
LMNA P02545 2/20 0.43
UCHL1 P09936 1/20 0.42
KCNMA1 Q12791 1/20 0.41
MAPT P10636 3/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7816184 0.94 CYP19A1 (0.44) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7816327 0.93 UCHL1 (0.44) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7831313 0.91 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7827509 0.91 MAOB (0.43) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL5511589 0.90 MAPT (0.44) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7830535 0.90 ALOX15 (0.41) SMN1; SMN2ALDH1A1MAPTPOLBALOX15
SCHEMBL7825516 0.90 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MITFCYP19A1UCHL1
SCHEMBL7831187 0.89 CYP19A1 (0.47) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7817398 0.89 MAPT (0.43) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA
SCHEMBL7822742 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MITFCYP19A1LMNA

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed