SCHEMBL17818133

SCHEMBL17818133

CCOc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.83
SMCHD1 A6NHR9 1/20 0.69
MYO1G B0I1T2 1/20 0.69
AIP O00170 1/20 0.69
AP3B1 O00203 1/20 0.69
PSMD11 O00231 1/20 0.69
CDC7 O00311 1/20 0.69
SAP18 O00422 1/20 0.69
KPNA3 O00505 1/20 0.69
PPP6C O00743 1/20 0.69
TCERG1 O14776 1/20 0.69
UBE2L6 O14933 1/20 0.69
PPP1R12A O14974 1/20 0.69
U2SURP O15042 1/20 0.69
SETD1A O15047 1/20 0.69
ARPC1B O15143 1/20 0.69
POLR1C O15160 1/20 0.69
OGT O15294 1/20 0.69
PPM1G O15355 1/20 0.69
SLC16A3 O15427 1/20 0.69

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
SCHEMBL14756416 0.91 BRD4 (1.00) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL17451427 0.91 BRD4 (1.00) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL1820357 0.91 BRD4 (1.00) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL15980803 0.90 BRD4 (0.86) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL18260657 0.89 BRD4 (0.90) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL16906731 0.87 BRD4 (0.92) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL26258706 0.87 BRD4 (0.79) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL18260671 0.87 BRD4 (0.85) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL9998885 0.86 BRD4 (0.78) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL26258794 0.86 BRD4 (0.73) BRD4SMCHD1MYO1GAIPAP3B1

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
EP-2705032-B1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-06-15 EP disclosed