SCHEMBL9840137

SCHEMBL9840137

N#Cc1cc(C#N)c(-c2ccc(OC(F)(F)F)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.41
SCN5A Q14524 3/20 0.40
TRPA1 O75762 2/20 0.40
SCN9A Q15858 2/20 0.40
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
IDO1 P14902 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL10590924 0.80 KIF11 (0.47) KDM5AARPTGS2ALDH1A1MAPT
SCHEMBL9339972 0.77 SCN9A (0.43) KDM5ASCN5ATRPA1SCN9APGR
SCHEMBL9219554 0.74 MCL1 (0.45) MAOBMAOAPTGS2MEN1ALDH1A1
SCHEMBL12953430 0.71 CYP11B1 (0.51) PGRARKIF11
SCHEMBL9389235 0.70 ALDH1A1 (0.41) KDM5APGRARMAOBMAOA
SCHEMBL3581452 0.70 AR (0.46) KDM5ASCN5ATRPA1SCN9APGR
SCHEMBL9840555 0.70 ADORA1 (0.40) KDM5ASCN5ATRPA1SCN9AMAOB
SCHEMBL10591906 0.70 DHODH (0.40) KDM5ASCN5ATRPA1SCN9ANISCH
SCHEMBL10591223 0.69 AHR (0.42) MAOBMAOAIDO1MEN1MAPT
SCHEMBL10591159 0.69 ADORA1 (0.39) KDM5ASCN5ATRPA1SCN9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed