SCHEMBL2492882

SCHEMBL2492882

CCNc1nc(N)nc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
CYP2C19 P33261 3/20 0.62
MAPK1 P28482 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GLA P06280 1/20 0.54
GAA P10253 4/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL25699179 0.86 CYP1A2 (0.74) CYP1A2CYP2C19SMN1; SMN2RAB9AGAA
SCHEMBL136258 0.86 CYP1A2 (0.81) CYP1A2CYP2C19SMN1; SMN2GAAHTT
SCHEMBL7076660 0.81 LMNA (0.58) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL183472 0.81 LMNA (0.52) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL6835059 0.79 LMNA (0.56) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL9195733 0.79 MAPK1 (0.46) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL1130832 0.78 CYP1A2 (0.65) CYP1A2CYP2C19SMN1; SMN2GAAHTT
SCHEMBL6342266 0.78 GAA (0.51) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL11160381 0.78 POLB (0.51) CYP1A2CYP2C19MAPK1SMN1; SMN2TP53
SCHEMBL9528867 0.77 LMNA (0.67) CYP1A2CYP2C19SMN1; SMN2GAAHTT

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