SCHEMBL2490925

SCHEMBL2490925

O=[N+]([O-])c1ccc(O)c(CSc2nc3ccccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 4/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
KMT2A Q03164 4/20 0.56
HPGD P15428 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 1/20 0.56
XBP1 P17861 1/20 0.56
RECQL P46063 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
PTGS2 P35354 2/20 0.55

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
SCHEMBL2491367 0.81 MAPT (1.00) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL31236783 0.78 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL9694766 0.76 MAPT (0.62) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2246173 0.76 KDM6B (0.64) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2074068 0.73 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3462516 0.72 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2246375 0.72 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2250401 0.72 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2490927 0.71 MAPT (1.00) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL11343149 0.71 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTLMNA

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