SCHEMBL7977838

SCHEMBL7977838

O=C1CCCCCN1c1ccc(-c2n[nH]c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
F9 P00740 1/20 0.39
F11 P03951 1/20 0.39
F7 P08709 1/20 0.39
TNIK Q9UKE5 2/20 0.38
GRK6 P43250 1/20 0.37
CDK2 P24941 2/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
BRD4 O60885 1/20 0.33
GSK3B P49841 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 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
SCHEMBL7959321 0.96 F10 (0.40) F10F9F11F7TNIK
SCHEMBL7966289 0.84 F10 (0.39) F10TNIKGRK6BRD4GSK3B
SCHEMBL7970800 0.83 TNKS (0.43) F10F9F11F7CDK2
SCHEMBL10140047 0.83 F10 (0.40) F10TNIKGRK6GSK3BCCNC
SCHEMBL7960559 0.82 HTR1A (0.41) F10F9F11F7TNIK
SCHEMBL7975114 0.80 F9 (0.42) F10F9F11F7CDK2
SCHEMBL10140048 0.80 F10 (0.38) F10TNIKGRK6CCNCCDK8
SCHEMBL7975730 0.79 F10 (0.37) F10TNIKGRK6GSK3BCCNC
SCHEMBL16258933 0.78 F9 (0.47) F10F9F11F7ALDH1A1
SCHEMBL7975112 0.78 F9 (0.47) F10F9F11F7BRD4

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