SCHEMBL2491367

SCHEMBL2491367

O=[N+]([O-])c1ccc(CSc2nc3ccccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
LMNA P02545 5/20 1.00
CASP3 P42574 1/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
PTGS2 P35354 2/20 0.64
HPGD P15428 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
GFER P55789 1/20 0.63
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ELANE P08246 1/20 0.57
MEN1 O00255 3/20 0.56

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
SCHEMBL28957551 0.83 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16972936 0.81 HPGD (0.74) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2490925 0.81 NPC1 (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2246375 0.80 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2250401 0.80 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11343149 0.80 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29032757 0.79 HPGD (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30037013 0.79 HPGD (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL26185767 0.79 HPGD (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31236783 0.79 SMN1; SMN2 (1.00) MAPTSMN1; SMN2NPC1RAB9ALMNA

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
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed