SCHEMBL14756175

SCHEMBL14756175

COC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.56
BRD2 P25440 8/20 0.56
BRD3 Q15059 7/20 0.56
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B3 P37058 1/20 0.47
PDK1 Q15118 6/20 0.45
PDK2 Q15119 6/20 0.45
PDK3 Q15120 6/20 0.45
PDK4 Q16654 6/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL26071914 0.88 CYP11B1 (0.47) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL18871831 0.87 PDK1 (0.49) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL26071793 0.86 PDK1 (0.54) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL14756207 0.86 PDK1 (0.54) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL18871979 0.86 PDK1 (0.51) BRD4BRD2BRD3TSHRPDK1
SCHEMBL14756232 0.84 PDK1 (0.47) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL14756761 0.83 PDK1 (0.45) BRD4BRD2BRD3TSHRALDH1A1
SCHEMBL18871765 0.83 PDK1 (0.50) TSHRALDH1A1HTTLMNAPDK1
SCHEMBL30366353 0.83 PDK1 (0.48) TSHRALDH1A1HTTLMNAPDK1
SCHEMBL26072484 0.83 PDK1 (0.48) TSHRALDH1A1HTTLMNAPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168213-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-08-01 EP disclosed
EP-3168213-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2017-05-17 EP 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
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-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed