SCHEMBL8548657

SCHEMBL8548657

C(#Cc1nc2ccccc2n1-c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 3/20 0.43
RECQL P46063 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CHRM4 P08173 6/20 0.42
CHRM5 P08912 6/20 0.42
CHRM1 P11229 6/20 0.42
CHRM3 P20309 6/20 0.42
CHRM2 P08172 5/20 0.42
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC22A12 Q96S37 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL30523605 0.79 MAPK1 (0.56) MAPK1HTTTSHRRECQLESR1
SCHEMBL20777186 0.78 SMN1; SMN2 (0.50) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL9725344 0.77 MAPK1 (0.50) MAPK1HTTTSHRRECQLESR1
SCHEMBL6770806 0.73 NPC1 (0.52) MAPK1HTTTSHRRECQLMEN1
SCHEMBL13053067 0.73 MAPK1 (0.61) MAPK1HTTTSHRRECQLESR1
SCHEMBL6772044 0.72 ADORA3 (0.34) MAPK1HTTMEN1KMT2AALDH1A1
SCHEMBL31702451 0.71 CYP1A2 (0.39) MAPK1HTTTSHRRECQLMEN1
SCHEMBL13750288 0.71 MAPK1 (0.63) MAPK1HTTTSHRRECQLESR1
SCHEMBL15835577 0.69 MAPK1 (0.61) MAPK1HTTTSHRRECQLESR1
SCHEMBL2309144 0.69 MAPK1 (0.61) MAPK1HTTTSHRRECQLESR1

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-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed