SCHEMBL27515744

SCHEMBL27515744

COC(=O)c1ccc2c(C3=C(c4cn(C)c5cc(N)ccc45)C(O)NC3O)cn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
SCN9A Q15858 8/20 0.38
SCN5A Q14524 2/20 0.38
KIF11 P52732 1/20 0.38
EGFR P00533 1/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL27382005 0.83 BRD4 (0.44) BRD4CREBBPSCN9ASCN5AKDM4E
SCHEMBL7499261 0.81 GSK3B (0.51) BRD4CREBBP
SCHEMBL27466047 0.77 SCARB1 (0.46) BRD4CREBBPSCN9AEGFRMAPT
SCHEMBL27405210 0.76 BRD4 (0.42) BRD4CREBBPSCN9AEGFRGAA
SCHEMBL13806241 0.74 KDM4E (0.51) BRD4CREBBPKIF11GAAMAPT
SCHEMBL146859 0.73 SCN9A (0.66) BRD4CREBBPSCN9ASCN5AEGFR
SCHEMBL147558 0.71 IDO1 (0.58) BRD4CREBBPSCN9ASCN5A
SCHEMBL17680562 0.70 NR4A2 (0.45) BRD4CREBBPSCN9AKIF11GAA
SCHEMBL31632856 0.70 SCN9A (0.56) BRD4CREBBPSCN9ASCN5AKIF11
SCHEMBL31556362 0.69 MAPT (0.45) BRD4CREBBPSCN9ASCN5AKIF11

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
CN-1226248-A Substituted bisindolylmaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 1999-08-18 CN disclosed