SCHEMBL7960559

SCHEMBL7960559

N#Cc1ccc2[nH]c(-c3[nH]nc(-c4ccc(N5CCCCC5=O)cc4)c3O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
TNIK Q9UKE5 2/20 0.37
F10 P00742 4/20 0.37
F9 P00740 1/20 0.37
F11 P03951 1/20 0.37
F7 P08709 1/20 0.37
GRK6 P43250 1/20 0.36
CDK2 P24941 2/20 0.34
FASN P49327 4/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
RHEB Q15382 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10173105 0.84 HTR1A (0.41) HTR1ATNIKF10FASNRHEB
SCHEMBL7977838 0.82 F10 (0.39) TNIKF10F9F11F7
SCHEMBL7959321 0.80 F10 (0.40) TNIKF10F9F11F7
SCHEMBL20307796 0.79 F9 (0.44) F10F9F11F7RHEB
SCHEMBL10172741 0.72 F9 (0.53) F10F9F11F7RHEB
SCHEMBL7969419 0.71 F9 (0.52) F10F9F11F7RHEB
SCHEMBL7978212 0.71 F9 (0.65) F10F9F11F7FASN
SCHEMBL19994743 0.69 RHEB (0.51) FASNRHEB
SCHEMBL30343735 0.69 RHEB (0.51) FASNRHEB
SCHEMBL10140918 0.69 F10 (0.37) TNIKF10GRK6CDK2CCNC

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed