SCHEMBL16758355

SCHEMBL16758355

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.74
HDAC1 Q13547 4/20 0.74
HDAC2 Q92769 4/20 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
POLR1C O15160 1/20 0.74
OGT O15294 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
SCHEMBL15981856 0.95 BRD4 (0.76) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL29380524 0.95 BRD4 (0.76) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL16758256 0.93 BRD4 (0.71) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL29380969 0.93 BRD4 (0.71) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL16758417 0.92 BRD4 (0.70) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL29380478 0.92 BRD4 (0.70) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL9998823 0.91 BRD4 (0.77) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL9999159 0.91 BRD4 (0.77) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL16758215 0.90 BRD4 (0.76) BRD4HDAC1HDAC2SMCHD1MYO1G
SCHEMBL9998877 0.89 BRD4 (0.75) BRD4HDAC1HDAC2SMCHD1MYO1G

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