SCHEMBL9339972

SCHEMBL9339972

N#Cc1cc[nH]c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
TRPA1 O75762 2/20 0.43
SCN5A Q14524 2/20 0.43
IDO1 P14902 1/20 0.41
KDM5A P29375 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9219845 0.78 KIF11 (0.56) KDM5AMEN1ALDH1A1MAPTALOX15
SCHEMBL9840137 0.77 KDM5A (0.41) SCN9ATRPA1SCN5AIDO1KDM5A
SCHEMBL2803766 0.75 KIF11 (0.57) SCN9ATRPA1SCN5AKDM1AMAOB
SCHEMBL28608366 0.75 IDO1 (0.43) SCN9ASCN5AIDO1NISCHALDH1A1
Hydrochloric Acid SCHEMBL4599674 0.74 KIF11 (0.55) SCN9ATRPA1SCN5AKDM1AMAOB
SCHEMBL201174 0.73 TRPA1 (0.53) SCN9ATRPA1SCN5AKDM1AMAOB
SCHEMBL7784781 0.72 MCL1 (0.49) MAOBMEN1ALDH1A1CYP3A4ALOX15
SCHEMBL9040621 0.72 MAOA (0.47) MAOBNISCHALDH1A1TSHRSMN1; SMN2
SCHEMBL1780240 0.71 MCL1 (0.46) MAOBALDH1A1TSHRTDP1NPC1
SCHEMBL12953430 0.71 CYP11B1 (0.51) PGRARKIF11

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
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP 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