SCHEMBL11066908

SCHEMBL11066908

CN1CC(Cl)(Cl)C(=O)Nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
CREBBP Q92793 1/20 0.45
EPHX2 P34913 1/20 0.42
BRPF1 P55201 1/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
CASP2 P42575 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL2629391 0.72 EPHX2 (0.54) BRD4CREBBPEPHX2SMN1; SMN2CASP3
SCHEMBL11071961 0.69 DDB1 (0.50) BRD4CREBBPEPHX2BRPF1GAA
SCHEMBL11071691 0.69 GAA (0.44) BRD4CREBBPEPHX2BRPF1GAA
SCHEMBL23123532 0.68 ALDH1A1 (0.45) BRD4CREBBPBRPF1GAASMN1; SMN2
SCHEMBL29789812 0.68 ALDH1A1 (0.45) BRD4CREBBPBRPF1GAASMN1; SMN2
SCHEMBL2629324 0.68 BRD4 (0.65) BRD4CREBBPEPHX2BRPF1GAA
SCHEMBL22004371 0.67 BRPF1 (0.40) BRD4CREBBPEPHX2BRPF1GAA
SCHEMBL13347976 0.67 ALDH1A1 (0.47) BRD4CREBBPBRPF1GAASMN1; SMN2
SCHEMBL4048986 0.66 GAA (0.44) BRD4CREBBPEPHX2BRPF1GAA
SCHEMBL4703417 0.66 GAA (0.44) BRD4CREBBPEPHX2BRPF1GAA

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
US-4477464-A Hetero-benzazepine derivatives and their pharmaceutical use CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed