SCHEMBL13495641

SCHEMBL13495641

Cc1nc2ccc(F)cc2n1-c1ccc(C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
PIK3CA P42336 3/20 0.46
MTOR P42345 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
GSR P00390 1/20 0.44
PIK3CD O00329 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL13666337 0.85 MAPT (0.47) HPDPOLBPIK3CAMTORSMN1; SMN2
SCHEMBL13495586 0.85 PIK3CA (0.60) HPDHSD17B10POLBPIK3CAMTOR
SCHEMBL13495640 0.85 HRH3 (0.51) HPDHSD17B10POLBPIK3CAMTOR
SCHEMBL13666581 0.83 HSD17B10 (0.61) HPDHSD17B10POLBPIK3CAMTOR
SCHEMBL13495748 0.82 PIK3CA (0.54) POLBPIK3CAMTORGSRPIK3CD
SCHEMBL14000496 0.81 MAPK1 (0.64) HSD17B10HTTHRH3
SCHEMBL13495653 0.79 MAPK1 (0.66) HSD17B10POLBPIK3CAMTORSMN1; SMN2
SCHEMBL13495638 0.79 PTGS2 (0.47) POLBKMT2AGSRACSS2
SCHEMBL13495643 0.79 ALDH1A1 (0.62) SMN1; SMN2KMT2AHTTHRH3HPGD
SCHEMBL3052790 0.79 MAPK1 (0.65) HSD17B10POLBPIK3CAMTORSMN1; SMN2

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
WO-2010012745-A2 BENZIMIDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed