SCHEMBL7828234

SCHEMBL7828234

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1ccc(C(OC)OC)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
CYP19A1 P11511 3/20 0.39
UCHL1 P09936 1/20 0.39
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 2/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNMA1 Q12791 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL7816440 0.93 UCHL1 (0.40) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL7824951 0.90 PTGER4 (0.42) ALDH1A1MAPTPOLBRXFP1ALOX15
SCHEMBL7816184 0.89 CYP19A1 (0.44) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL7823358 0.86 PTGER4 (0.42) ALDH1A1MAPTPOLBRXFP1ALOX15
SCHEMBL7831313 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL7831187 0.86 CYP19A1 (0.47) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL7831799 0.86 POLB (0.40) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL5511589 0.85 MAPT (0.44) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL7823456 0.85 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MITFCYP19A1UCHL1
SCHEMBL8071430 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MITFMAPTPOLB

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