SCHEMBL2489752

SCHEMBL2489752

Nc1nc(N)nc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
HTR2B P41595 1/20 0.68
PDE4D Q08499 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.67
CDK9 P50750 4/20 0.67
RAB9A P51151 3/20 0.67
KDM4E B2RXH2 2/20 0.67
LMNA P02545 2/20 0.67
CASP3 P42574 2/20 0.67
SENP7 Q9BQF6 2/20 0.67
NFKB1 P19838 1/20 0.67
CDK5 Q00535 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
CDK5R1 Q15078 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
ALDH1A1 P00352 4/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 2/20 0.60

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
SCHEMBL14028306 0.83 CDK9 (0.88) NPC1HTR2BPDE4DSMN1; SMN2CDK9
Irsogladine SCHEMBL29517870 0.81 HTR2B (1.00) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL9566554 0.81 HTR2B (0.72) NPC1HTR2BPDE4DSMN1; SMN2CDK9
Irsogladine SCHEMBL62215 0.81 HTR2B (1.00) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL9566597 0.79 HTR2B (0.70) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL29913405 0.78 IDO1 (0.65) NPC1SMN1; SMN2CDK9RAB9AKDM4E
SCHEMBL9566468 0.78 HTR2B (0.68) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL9566572 0.78 HTR2B (0.68) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL9566439 0.78 HTR2B (0.68) NPC1HTR2BPDE4DSMN1; SMN2CDK9
SCHEMBL5069137 0.78 NPC1 (0.68) NPC1SMN1; SMN2CDK9RAB9AKDM4E

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