SCHEMBL16758384

SCHEMBL16758384

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(-c3ccc(CBr)cc3)ccc2-n2c(C)nnc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.74
HDAC1 Q13547 5/20 0.74
HDAC2 Q92769 5/20 0.74
BRD2 P25440 2/20 0.74
BRD3 Q15059 2/20 0.74
SMCHD1 A6NHR9 1/20 0.74
MYO1G B0I1T2 1/20 0.74
AIP O00170 1/20 0.74
AP3B1 O00203 1/20 0.74
PSMD11 O00231 1/20 0.74
CDC7 O00311 1/20 0.74
SAP18 O00422 1/20 0.74
KPNA3 O00505 1/20 0.74
PPP6C O00743 1/20 0.74
TCERG1 O14776 1/20 0.74
UBE2L6 O14933 1/20 0.74
PPP1R12A O14974 1/20 0.74
U2SURP O15042 1/20 0.74
SETD1A O15047 1/20 0.74
ARPC1B O15143 1/20 0.74

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
SCHEMBL16758250 0.93 BRD4 (0.75) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL9998748 0.92 BRD4 (0.74) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL16758215 0.92 BRD4 (0.76) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL9998823 0.91 BRD4 (0.77) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL9999159 0.91 BRD4 (0.77) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL16758213 0.90 BRD4 (0.72) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL9998882 0.90 BRD4 (0.72) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL16771524 0.90 BRD4 (0.79) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL9998877 0.89 BRD4 (0.75) BRD4HDAC1HDAC2BRD2BRD3
SCHEMBL16758439 0.89 BRD4 (0.75) BRD4HDAC1HDAC2BRD2BRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed