SCHEMBL1381284

SCHEMBL1381284

O=C(Cn1c(C(=O)Nc2ccc(-n3ccc(=O)[nH]c3=O)cc2)nc2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.76
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
KDR P35968 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3369053 0.87 F10 (0.57) F10CCNKCDK12KDRKDM4E
SCHEMBL1382657 0.86 F10 (1.00) F10CCNKCDK12KDRKDM4E
SCHEMBL1382719 0.85 F10 (0.75) F10CCNKCDK12KDRKDM4E
SCHEMBL1381365 0.80 F10 (0.66) F10CCNKCDK12KDRKDM4E
SCHEMBL1384352 0.80 F10 (0.68) F10KDRKDM4EMEN1ALDH1A1
SCHEMBL1381239 0.80 F10 (0.67) F10KDRKDM4EMEN1ALDH1A1
SCHEMBL1378964 0.79 F10 (0.66) F10KDR
SCHEMBL3367236 0.77 F10 (0.61) F10CCNKCDK12MEN1ALDH1A1
SCHEMBL3369686 0.73 F10 (0.76) F10KDRKDM4EMEN1ALDH1A1
SCHEMBL3373371 0.71 F10 (0.56) F10KDRKDM4EMEN1ALDH1A1

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