SCHEMBL9683331

SCHEMBL9683331

COc1ccc(CNc2ccc(F)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GPR35 Q9HC97 1/20 0.50
NCF1 P14598 1/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL11016390 0.91 MEN1 (0.56) MAP2K4MEN1KMT2AGPR35NCF1
SCHEMBL9683167 0.82 HTT (0.51) MEN1KMT2ANCF1GAAMAPT
SCHEMBL9681343 0.80 HDAC3 (0.44) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL9681871 0.80 MAPT (0.43) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL7740760 0.80 ALDH1A1 (0.53) MEN1KMT2AGAAMAPTNPC1
SCHEMBL9682485 0.79 GAA (0.51) MEN1KMT2ANCF1GAAMAPT
SCHEMBL9682993 0.79 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21382629 0.79 PDE5A (0.53) MEN1KMT2ANCF1GAAMAPT
SCHEMBL24636068 0.79 MAPT (0.59) MEN1KMT2ANCF1GAAMAPT
SCHEMBL8405018 0.78 HDAC1 (0.62) MEN1KMT2ANCF1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed