SCHEMBL2490857

SCHEMBL2490857

Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
XBP1 P17861 1/20 1.00
HIF1A Q16665 1/20 1.00
SMN1; SMN2 Q16637 9/20 0.68
TP53 P04637 9/20 0.68
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
KDM4E B2RXH2 6/20 0.63
HSD17B10 Q99714 6/20 0.63
ALDH1A1 P00352 6/20 0.63
HPGD P15428 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALOX15 P16050 1/20 0.63
RXFP1 Q9HBX9 2/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
GFER P55789 1/20 0.54
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL4512765 0.94 MAPT (0.90) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL2488984 0.86 MAPT (0.75) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL2489033 0.83 MAPT (0.71) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL2242897 0.81 MAPT (1.00) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL30967039 0.81 MAPT (0.78) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL31360536 0.81 MAPT (0.78) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL11443270 0.81 MAPT (0.78) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL2491850 0.81 MAPT (0.70) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL14825167 0.79 RAB9A (0.66) MAPTXBP1HIF1ASMN1; SMN2TP53
SCHEMBL2493940 0.78 MAPT (0.69) MAPTXBP1HIF1ASMN1; SMN2TP53

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