SCHEMBL27382005

SCHEMBL27382005

COC(=O)c1ccc2c(C3=C(c4cn(C)c5cc([N+](=O)[O-])ccc45)C(O)NC3O)cn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
ELANE P08246 5/20 0.41
F2 P00734 3/20 0.41
PLAU P00749 3/20 0.41
CTRB1 P17538 3/20 0.41
POLB P06746 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KLKB1 P03952 1/20 0.39
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
CDK2 P24941 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
SCHEMBL27515744 0.83 BRD4 (0.46) BRD4CREBBPKMT2AKDM4ESCN5A
SCHEMBL7501375 0.83 BRD4 (0.47) BRD4CREBBPCDK2
SCHEMBL27466047 0.73 SCARB1 (0.46) BRD4CREBBPMEN1KMT2AKDM4E
SCHEMBL146859 0.70 SCN9A (0.66) BRD4CREBBPSCN5ASCN9A
SCHEMBL147558 0.68 IDO1 (0.58) BRD4CREBBPSCN5ASCN9A
SCHEMBL17680562 0.68 NR4A2 (0.45) BRD4CREBBPKDM4ESCN9A
SCHEMBL668748 0.67 CCNE2 (0.57) CDK2
SCHEMBL29263665 0.67 NR4A2 (0.59) ELANEF2PLAUCTRB1POLB
SCHEMBL31632856 0.67 SCN9A (0.56) BRD4CREBBPKMT2AKDM4ESCN5A
SCHEMBL15712172 0.67 L3MBTL1 (0.51) BRD4POLBMEN1KMT2ASCN9A

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-1077571-C Substituted bisindolylmaleimides for inhibiting cell proliferation HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed