SCHEMBL5625149

SCHEMBL5625149

COc1ccccc1-n1c(Cn2ccnc2-c2cccc(F)n2)nc2cnccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APLNR P35414 1/20 0.34
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RPS6KB1 P23443 1/20 0.32
ROCK1 Q13464 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2B P41595 2/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL3061416 0.79 RPS6KA5 (0.43) SMN1; SMN2MAPTALDH1A1RPS6KB1ROCK1
SCHEMBL3068284 0.79 RAB9A (0.39) SMN1; SMN2POLBMAPTALDH1A1KMT2A
SCHEMBL3065868 0.78 USP2 (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL3060407 0.78 RPS6KA5 (0.37) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL3067378 0.77 MAPT (0.36) MAPTMEN1KMT2ANPC1TP53
SCHEMBL3061362 0.75 MAPT (0.43) MAPTKCNH2NPC1TP53CASP1
SCHEMBL3049560 0.75 TP53 (0.36) SMN1; SMN2MAPTNPC1TP53CASP1
SCHEMBL3059564 0.75 MAPT (0.36) SMN1; SMN2MAPTALDH1A1NPC1TP53
SCHEMBL3068443 0.74 HTT (0.40) POLBALDH1A1LMNA
SCHEMBL3072695 0.73 MAPT (0.40) SMN1; SMN2MAPTKCNH2ALDH1A1MEN1

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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed