SCHEMBL14756014

SCHEMBL14756014

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2-n2c(C)nnc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.85
HDAC1 Q13547 4/20 0.74
HDAC2 Q92769 4/20 0.74
BRDT Q58F21 3/20 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

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
SCHEMBL14756240 0.93 BRD4 (0.85) BRD4HDAC1HDAC2BRDTBRD2
SCHEMBL14756287 0.93 BRD4 (0.85) BRD4HDAC1HDAC2BRDTBRD2
SCHEMBL12966165 0.92 BRD4 (1.00) BRD4HDAC1HDAC2BRDTBRD2
Molibresib SCHEMBL12671490 0.85 BRD4 (1.00) BRD4HDAC1HDAC2BRDTBRD2
Molibresib SCHEMBL1872390 0.85 BRD4 (1.00) BRD4HDAC1HDAC2BRDTBRD2
Molibresib SCHEMBL12966358 0.85 BRD4 (1.00) BRD4HDAC1HDAC2BRDTBRD2
Molibresib SCHEMBL29359178 0.85 BRD4 (1.00) BRD4HDAC1HDAC2BRDTBRD2
SCHEMBL25223951 0.84 BRD4 (0.75) BRD4HDAC1HDAC2BRDTBRD2
SCHEMBL29377871 0.84 BRD4 (0.75) BRD4HDAC1HDAC2BRDTBRD2
SCHEMBL15980803 0.84 BRD4 (0.86) BRD4HDAC1HDAC2BRDTBRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME 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
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed