SCHEMBL7977871

SCHEMBL7977871

CNC(=O)c1ccc2c(c1)CN(Cc1ccc(OC)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLK1 P53350 1/20 0.48
CHRM1 P11229 1/20 0.48
CACNA1G O43497 2/20 0.47
HDAC1 Q13547 6/20 0.46
BRD4 O60885 1/20 0.45
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7984504 0.89 CACNA1G (0.50) HDAC6MEN1KMT2ACACNA1GHDAC1
SCHEMBL7981151 0.89 CACNA1G (0.48) HDAC6MEN1KMT2ACACNA1GHDAC1
SCHEMBL1417419 0.89 KMT2A (0.53) HDAC6MEN1KMT2ACACNA1GHDAC1
SCHEMBL7979501 0.87 L3MBTL1 (0.53) HDAC6MEN1KMT2ACACNA1GHDAC1
SCHEMBL1418031 0.87 DRD4 (0.55) HDAC6MEN1KMT2ACACNA1GBRD4
SCHEMBL7974402 0.86 CACNA1G (0.48) HDAC6MEN1KMT2ACACNA1GHDAC1
SCHEMBL7994912 0.86 ALDH1A1 (0.54) CACNA1GBRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL6766445 0.86 MMP13 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7979545 0.82 BRD4 (0.45) HDAC6MEN1KMT2ACHRM1HDAC1
SCHEMBL31409517 0.81 ESR1 (0.48) MEN1KMT2A

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-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed