SCHEMBL6233041

SCHEMBL6233041

CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.62
DHODH Q02127 1/20 0.60
KDM1A O60341 3/20 0.53
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
CDK8 P49336 1/20 0.50
KIF11 P52732 1/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL6257855 0.88 DHODH (0.58) FYNDHODHKDM1AMAOBMAOA
SCHEMBL6235301 0.88 DHODH (0.58) FYNDHODHKDM1AMAOBMAOA
SCHEMBL6235084 0.87 KIF11 (0.67) FYNDHODHKDM1AMAOBMAOA
SCHEMBL6235521 0.86 DHODH (0.57) FYNDHODHMAPTNPC1PSEN1
SCHEMBL6235785 0.86 TP53 (0.62) FYNDHODHKDM1AMAOBMAOA
SCHEMBL6259141 0.84 FYN (0.55) FYNDHODHMAPTNPC1CDK8
SCHEMBL14988290 0.81 HSD17B10 (0.55) FYNDHODHKDM1AMAPTNPC1
SCHEMBL6236761 0.80 DHODH (0.52) FYNDHODHKDM1AMAOBMAOA
SCHEMBL6243512 0.79 DHODH (0.54) FYNDHODHKDM1AMAOBMAOA
SCHEMBL30338729 0.79 PTPN1 (0.63) FYNMAPTNPC1KDM4ERAB9A

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed