SCHEMBL3410667

SCHEMBL3410667

Fc1cccc(-c2nccn2Cc2nc3ccncc3n2CC(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CYP11B2 P19099 1/20 0.38
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 1/20 0.34
TGFBR1 P36897 4/20 0.33
TGFBR2 P37173 3/20 0.33
ALOX5AP P20292 2/20 0.32
GLP1R P43220 1/20 0.31
KCNH2 Q12809 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL3072695 0.88 MAPT (0.40) MAPTCYP11B2CYP17A1TGFBR1TGFBR2
SCHEMBL3061362 0.83 MAPT (0.43) MAPTCYP17A1TGFBR1TGFBR2ALOX5AP
SCHEMBL3062225 0.82 HDAC1 (0.35) MAPTALOX5APENPP2
SCHEMBL13547841 0.80 CYP11B2 (0.34) CYP11B2CYP17A1CYP1A2ENPP2
SCHEMBL3061416 0.80 RPS6KA5 (0.43) MAPTCYP11B2TGFBR1ALOX5AP
SCHEMBL3060407 0.78 RPS6KA5 (0.37) MAPTTGFBR1
SCHEMBL3049560 0.77 TP53 (0.36) MAPTTGFBR1TGFBR2
SCHEMBL3059564 0.77 MAPT (0.36) MAPTTGFBR1TGFBR2
SCHEMBL3067378 0.77 MAPT (0.36) MAPTCYP17A1TGFBR1TGFBR2ALOX5AP
SCHEMBL3068284 0.76 RAB9A (0.39) MAPTCYP1A2TGFBR1GLP1R

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-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP claimed