SCHEMBL1773028

SCHEMBL1773028

COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.60
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
NQO1 P15559 1/20 0.55
CYP1A2 P05177 2/20 0.54

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
SCHEMBL10389445 1.00 NQO2 (0.60) NQO2MAOAMAOBTUBB4ATUBB
SCHEMBL10389790 1.00 NQO2 (0.60) NQO2MAOAMAOBTUBB4ATUBB
SCHEMBL10389789 1.00 NQO2 (0.60) NQO2MAOAMAOBTUBB4ATUBB
SCHEMBL10881593 0.89 MAPT (0.62) NQO2CYP1A2CYP3A4HIF1ANPC1
SCHEMBL10881590 0.89 MAPT (0.62) NQO2CYP1A2CYP3A4HIF1ANPC1
SCHEMBL11450371 0.89 MAPT (0.62) NQO2CYP1A2CYP3A4HIF1ANPC1
SCHEMBL10881599 0.89 MAPT (0.62) NQO2CYP1A2CYP3A4HIF1ANPC1
SCHEMBL11450372 0.89 MAPT (0.62) NQO2CYP1A2CYP3A4HIF1ANPC1
SCHEMBL6801718 0.86 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL847533 0.86 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4961631-A Nonlinear optical devices from derivatives of stilbene E. I DU PONT DE NEMOURS AND COMPANY (US) 1990-10-09 US claimed
US-8722095-B2 Fluorescent nanocrystals encapsulated in an inorganic shell Centre National de la Recherche Scientifique—CNRS (FR) 2014-05-13 US disclosed
EP-2260085-B1 FLUORESCENT NANOCRYSTALS ENCAPSULATED IN AN INORGANIC SHELL CENTRE NAT RECH SCIENT (FR) 2012-10-03 EP disclosed
US-20110110864-A1 FLUORESCENT NANOCRYSTALS ENCAPSULATED IN AN INORGANIC SHELL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS- (FR) 2011-05-12 US disclosed
EP-2260085-A1 FLUORESCENT NANOCRYSTALS ENCAPSULATED IN AN INORGANIC SHELL Centre National de la Recherche Scientifique - CNRS (FR) 2010-12-15 EP disclosed
WO-2009125086-A1 FLUORESCENT NANOCRYSTALS ENCAPSULATED IN AN INORGANIC SHELL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2009-10-15 WO disclosed
US-4961631-A Nonlinear optical devices from derivatives of stilbene E. I DU PONT DE NEMOURS AND COMPANY (US) 1990-10-09 US disclosed