SCHEMBL28005102

SCHEMBL28005102

Fc1cccc(-c2cc[nH]n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.38
IDO1 P14902 1/20 0.38
GRK6 P43250 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CDK2 P24941 3/20 0.35
DYRK1A Q13627 3/20 0.35
CLK2 P49760 2/20 0.35
CDK5 Q00535 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MAPK1 P28482 1/20 0.35
FLT4 P35916 1/20 0.35
MAPK8 P45983 1/20 0.35
LIMK1 P53667 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
SLK Q9H2G2 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL2277157 0.84 IDO1 (0.53) IDO1DCUN1D1NOTUM
SCHEMBL30497931 0.84 IDO1 (0.53) IDO1DCUN1D1NOTUM
SCHEMBL5777498 0.82 BCAT1 (0.48) BCAT1IDO1GRK6CYP11B1CYP11B2
SCHEMBL4055200 0.81 GRK6 (0.39) IDO1GRK6MAPK1DCUN1D1NOTUM
SCHEMBL1221432 0.81 WDR5 (0.35) BCAT1IDO1GRK6CYP11B1CYP11B2
SCHEMBL3848065 0.78 F2RL3 (0.37) IDO1
SCHEMBL28684912 0.76 DHODH (0.39)
SCHEMBL3391917 0.75 MEN1 (0.31)
SCHEMBL7159727 0.75 BCAT2 (0.41) CDK5CLK4
SCHEMBL5255739 0.72 MAPT (0.43) CYP11B2

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
CN-104364238-A Branched chain alkyl heteroaromatic ring derivative TAISHO PHARMACEUTICAL CO LTD 2015-02-18 CN disclosed