SCHEMBL9767261

SCHEMBL9767261

CCCCC1Oc2ccc([N+](=O)[O-])cc2C2OC12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
ESPL1 Q14674 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
RIPK1 Q13546 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9767270 0.89 POLB (0.39) MAPTPOLBAKR1B1MEN1KMT2A
SCHEMBL5695096 0.82 MAOB (0.38) MAOBESPL1MAPTCYP19A1SMN1; SMN2
SCHEMBL9767624 0.79 MAOB (0.35) MAOBESPL1MAPTCYP19A1SMN1; SMN2
SCHEMBL9767628 0.79 MAOB (0.35) MAOBESPL1MAPTCYP19A1SMN1; SMN2
SCHEMBL9767027 0.78 TSHR (0.38) MAPTSMN1; SMN2AKR1B1MEN1KMT2A
SCHEMBL9767647 0.70 ESPL1 (0.43) ESPL1MAPTSMN1; SMN2POLBAKR1B1
SCHEMBL980916 0.69 MAOB (0.45) MAOBESPL1MAPTCYP19A1RAB9A
SCHEMBL6978574 0.69 HSP90AA1 (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6736201 0.68 MAOB (0.63) MAOBALDH1A1
SCHEMBL27537102 0.68 AKR1B1 (0.45) ESPL1MAPTCYP19A1AKR1B1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed