SCHEMBL7825516

SCHEMBL7825516

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MITF O75030 1/20 0.41
UCHL1 P09936 1/20 0.40
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
MAPT P10636 4/20 0.40
KCNMA1 Q12791 1/20 0.39
CYP19A1 P11511 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 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
SCHEMBL7831799 0.94 POLB (0.40) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7816429 0.93 UCHL1 (0.42) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7827509 0.93 MAOB (0.43) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL8068896 0.90 PDE4A (0.41) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7823456 0.90 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7816215 0.90 ALOX15 (0.39) SMN1; SMN2ALDH1A1POLBRXFP1MAPT
SCHEMBL7831313 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7817289 0.88 UCHL1 (0.41) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL5511589 0.87 MAPT (0.44) SMN1; SMN2ALDH1A1MITFUCHL1PDE4A
SCHEMBL7827810 0.86 ALOX15 (0.39) SMN1; SMN2ALDH1A1POLBRXFP1MAPT

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