SCHEMBL2490633

SCHEMBL2490633

COc1ccc(NC(=O)/C=C/C(=O)O)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
NMT1 P30419 1/20 0.45
CREBBP Q92793 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
LPAR2 Q9HBW0 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
LPAR1 Q92633 1/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL2490635 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAGAAALDH1A1HTT
SCHEMBL4057693 0.80 NNMT (0.47) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL19127704 0.76 CYP1A2 (0.50) SMN1; SMN2LMNAL3MBTL1POLBMEN1
SCHEMBL19151253 0.72 ADORA3 (0.49) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL3923269 0.72 L3MBTL1 (0.46) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL18725647 0.71 HPGD (0.50) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL896513 0.71 ALDH1A1 (0.53) SMN1; SMN2LMNAGAAALDH1A1HTT
SCHEMBL25066329 0.71 ALDH1A1 (0.47) SMN1; SMN2LMNAGAAALDH1A1HTT
SCHEMBL1124496 0.70 NNMT (0.49) SMN1; SMN2LMNAGAAALDH1A1POLB
SCHEMBL1124495 0.70 NNMT (0.49) SMN1; SMN2LMNAGAAALDH1A1POLB

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