SCHEMBL2494840

SCHEMBL2494840

Cc1ccc(Nc2ncnc(N)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
SMN1; SMN2 Q16637 4/20 0.70
ADORA3 P0DMS8 1/20 0.70
SLC6A2 P23975 1/20 0.70
PDE4A P27815 1/20 0.70
KDR P35968 1/20 0.70
BCL6 P41182 1/20 0.69
KDM4E B2RXH2 2/20 0.69
GAA P10253 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 2/20 0.65
KCNH2 Q12809 2/20 0.59
SCN5A Q14524 2/20 0.59
SCN9A Q15858 2/20 0.59
HTT P42858 2/20 0.57
MAPK1 P28482 1/20 0.55
NPC1 O15118 4/20 0.54
JAK2 O60674 1/20 0.54
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL21496119 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
Chlorazanil SCHEMBL29652081 0.82 ADORA3 (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
Chlorazanil SCHEMBL180422 0.82 ADORA3 (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL8236544 0.82 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
Amanozine SCHEMBL30264199 0.81 BCL6 (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
Amanozine SCHEMBL689928 0.81 BCL6 (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL10016359 0.81 KDM4E (1.00) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL29130622 0.81 MAPT (0.73) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
Chlorazanil SCHEMBL22207597 0.81 ADORA3 (0.97) RAB9ASMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL20355151 0.80 RAB9A (0.67) RAB9ASMN1; SMN2KDM4EGAAL3MBTL1

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