SCHEMBL1381365

SCHEMBL1381365

O=C(Cn1c(C(=O)Nc2ccc(N3CCNCC3=O)cc2)nc2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.66
MAPKAPK2 P49137 1/20 0.46
KDR P35968 2/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL3368156 0.87 F10 (0.50) F10MAPKAPK2KDRKDM4EMEN1
SCHEMBL1378964 0.86 F10 (0.66) F10KDR
SCHEMBL1384352 0.84 F10 (0.68) F10KDRKDM4EMEN1ALDH1A1
SCHEMBL1382719 0.81 F10 (0.75) F10KDRCCNKCDK12KDM4E
SCHEMBL1381239 0.81 F10 (0.67) F10KDRKDM4EMEN1ALDH1A1
SCHEMBL1381284 0.80 F10 (0.76) F10KDRCCNKCDK12KDM4E
SCHEMBL1382657 0.79 F10 (1.00) F10KDRCCNKCDK12KDM4E
SCHEMBL3367236 0.75 F10 (0.61) F10CCNKCDK12MEN1ALDH1A1
SCHEMBL3371107 0.74 F10 (0.52) F10KDR
SCHEMBL3372855 0.74 F10 (0.50) F10KDR

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
JP-4658940-B2 2011-03-23 JP claimed