SCHEMBL9738684

SCHEMBL9738684

N#Cc1cccc(F)c1OCc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAPK14 Q16539 1/20 0.38
PLAU P00749 1/20 0.37
MAOB P27338 3/20 0.37
PARP10 Q53GL7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 2/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
MCL1 Q07820 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL450088 0.79 KDM1A (0.50) MAOBNPC1MAPT
SCHEMBL14084323 0.77 NPC1 (0.56) IDO1ALDH1A1MAPK14PLAUMAOB
SCHEMBL1155300 0.77 ALDH1A1 (0.47) IDO1ALDH1A1MAPK14PLAUMAOB
SCHEMBL29826329 0.75 KCNH2 (0.34) ALOX5APFEN1PLAUNPC1RAB9A
SCHEMBL16054616 0.73 CYP11B1 (0.40) ALDH1A1NPC1RAB9AKMT2AHTR2A
SCHEMBL2291302 0.73 IDO1 (0.52) IDO1ALDH1A1PARP10NPC1RAB9A
SCHEMBL1761232 0.73 MAOB (0.50) MAOBNPC1RAB9AFFAR1MAPT
SCHEMBL2292269 0.72 IDO1 (0.47) IDO1ALDH1A1MAOBPARP10NPC1
SCHEMBL2287943 0.72 ALDH1A1 (0.57) IDO1ALDH1A1PARP10NPC1RAB9A
SCHEMBL30331042 0.71 MCL1 (0.56) IDO1ALDH1A1MAPK14PLAUMAOB

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-1992012133-A2 ARTHROPODICIDAL CARBOXANILIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed