SCHEMBL8323972

SCHEMBL8323972

COC(=O)/C=C/c1ccc(Cn2cc(-c3ccccc3)nc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC11 Q96DB2 2/20 0.42

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
SCHEMBL8324956 0.89 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL8319464 0.89 SMN1; SMN2 (0.46) BRD4CASP3SENP8SENP7SENP6
SCHEMBL8322937 0.79 CYP3A4 (0.49) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL3439436 0.79 MEN1 (0.59) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL8324031 0.79 BRD4 (0.47) BRD4KDM4EKMT2ASMN1; SMN2CA12
SCHEMBL8322975 0.77 TGFBR1 (0.41) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL1305978 0.74 PDE10A (0.51) BRD4KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL4833218 0.72 CA12 (0.66) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL4833224 0.72 CA12 (0.66) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL8325630 0.72 CYP11B1 (0.48) KDM4EKMT2ASMN1; SMN2CA12CA1

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed