SCHEMBL15775332

SCHEMBL15775332

COc1ccc(C(=O)Nc2c(C)cccc2C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.54
F10 P00742 1/20 0.52
RAB9A P51151 7/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ALOX15 P16050 1/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL6935548 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EF10RAB9ANPC1
SCHEMBL7574902 0.86 TP53 (0.55) ALDH1A1KDM4EF10RAB9ANPC1
SCHEMBL15775319 0.86 KDM4E (0.59) ALDH1A1KDM4EF10RAB9ANPC1
SCHEMBL15775601 0.84 KDM4E (0.61) ALDH1A1KDM4EKMT2APOLBKCNK9
SCHEMBL15775437 0.83 KDM4E (0.57) KDM4ERAB9ANPC1SMN1; SMN2TP53
SCHEMBL15775229 0.83 KDM4E (0.57) ALDH1A1KDM4EF10RAB9ANPC1
SCHEMBL15775402 0.83 KDM4E (0.77) KDM4ERAB9ANPC1SMN1; SMN2TP53
SCHEMBL7249253 0.82 F10 (0.69) ALDH1A1F10RAB9ANPC1SMN1; SMN2
SCHEMBL21870513 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EF10RAB9ANPC1
SCHEMBL15775220 0.81 KDM4E (0.58) KDM4ERAB9ANPC1SMN1; SMN2TP53

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed