SCHEMBL7215977

SCHEMBL7215977

Cc1c(-c2c[nH]c(NCc3ccc(F)cc3)n2)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.37
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
CLK1 P49759 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
GRK6 P43250 1/20 0.36

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
SCHEMBL7222409 0.89 APP (0.39) NTRK1KMT2ALMNAMAPTAPP
SCHEMBL7217987 0.79 CCNE2 (0.40) MEN1KMT2ACCNE1CDK2CLK1
SCHEMBL7222469 0.78 CDK2 (0.34) MEN1KMT2ALMNAMAPTCDC7
SCHEMBL7222114 0.77 CLK1 (0.49) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL7216330 0.76 CD38 (0.40) MEN1KMT2ALMNAMAPT
SCHEMBL7221634 0.68 ATP1A1 (0.37) MEN1KMT2ACDC7DBF4CCNE1
SCHEMBL7216137 0.67 PDE9A (0.37) KMT2AMAPTKDM4EGAAGRK6
SCHEMBL14134232 0.67 CYP1A2 (0.48) MEN1KMT2AMAPTTHRBALDH1A1
SCHEMBL7215632 0.65 NPY5R (0.42) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL7215976 0.65 GAA (0.44) MEN1KMT2ALMNAMAPTAPP

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed