SCHEMBL11680992

SCHEMBL11680992

FC(F)(F)c1ccc(-c2cnc(Cl)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
KIF11 P52732 5/20 0.44
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
CASP1 P29466 1/20 0.41
COMT P21964 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PARP1 P09874 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
GRM4 Q14833 1/20 0.39
ALOX5 P09917 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL6648525 0.79 MAPK1 (0.46) KCNQ3KCNQ2KCNE1KCNQ1IDO1
SCHEMBL11679569 0.78 NPC1 (0.50) KDM1AMAOB
SCHEMBL22390554 0.78 KDM1A (0.49) KDM1AMAOBKIF11ALOX5APFEN1
SCHEMBL9951105 0.78 FEN1 (0.60) KDM1AMAOBKIF11ALOX5APFEN1
SCHEMBL20203802 0.77 CYP1A2 (0.48) ALOX5APFEN1ALOX5
SCHEMBL1548905 0.77 KDM1A (0.42) KDM1AMAOBDYRK1ADYRK2KIF11
SCHEMBL1744141 0.77 KIF11 (0.52) KDM1AMAOBDYRK1ADYRK2KIF11
SCHEMBL28530523 0.76 KIF11 (0.61) KDM1AMAOBKIF11CASP1IDO1
SCHEMBL29690424 0.76 KIF11 (0.61) KDM1AMAOBKIF11CASP1IDO1
SCHEMBL4342508 0.75 KIF11 (0.59) KDM1AMAOBKIF11CASP1IDO1

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
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed