SCHEMBL8676259

SCHEMBL8676259

Cc1cccc(N2C(=O)C(NCC(=O)C(N)CS)N=C(c3ccccc3)c3cc(Cl)ccc32)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.43
CCKAR P32238 2/20 0.43
LMNA P02545 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE3A Q14432 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
NOTCH1 P46531 1/20 0.41
RBPJ Q06330 1/20 0.41
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8674482 0.93 LMNA (0.44) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8670555 0.91 LMNA (0.44) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8674323 0.89 LMNA (0.42) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8672022 0.88 LMNA (0.40) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8667949 0.88 NOTCH1 (0.42) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8670541 0.88 OPRK1 (0.41) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8674138 0.87 LMNA (0.40) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8674054 0.86 PDE3A (0.41) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8674206 0.86 LMNA (0.40) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL8676161 0.86 BRD4 (0.42) CCKBRCCKARLMNAOPRK1PDE3A

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-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed