SCHEMBL2529950

SCHEMBL2529950

CCc1ccccc1-c1cccc(-c2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.60
CYP2A6 P11509 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
TRPA1 O75762 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
PRKDC P78527 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BRD4 O60885 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
PTGER1 P34995 1/20 0.41

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
SCHEMBL17426491 0.83 KDM4E (0.52) GRM5CYP2A6TLR4TLR2PRKDC
SCHEMBL11647426 0.83 PTGER1 (0.53) GRM5ALOX5APFEN1TRPA1PTGER1
SCHEMBL4777973 0.81 KDM4E (0.50) GRM5CYP2A6CYP1A2CYP2D6CYP19A1
SCHEMBL502867 0.79 KDM4E (0.62) GRM5CYP2A6TLR4TLR2CYP1A2
SCHEMBL29679578 0.79 KDM4E (0.62) GRM5CYP2A6TLR4TLR2CYP1A2
SCHEMBL2485206 0.79 GRM5 (0.58) GRM5CYP2A6TLR4TLR2CYP1A2
SCHEMBL15459106 0.78 CYP2A6 (0.51) GRM5CYP2A6TLR4TLR2PRKDC
SCHEMBL15459120 0.78 CYP2A6 (0.51) GRM5CYP2A6TLR4TLR2PRKDC
SCHEMBL2482401 0.78 HRH3 (0.54) CYP2A6TLR4TLR2CYP1A2CYP2D6
SCHEMBL17834278 0.78 HRH3 (0.50) GRM5CYP2A6TLR4TLR2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2378582-A1 Stable and efficient electroluminescent materials Universal Display Corporation (US) 2011-10-19 EP disclosed