SCHEMBL8670541

SCHEMBL8670541

Cc1ccc(F)cc1N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.41
LMNA P02545 1/20 0.41
PDE3A Q14432 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
NOTCH1 P46531 1/20 0.40
RBPJ Q06330 1/20 0.40
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
CCKBR P32239 12/20 0.38
CCKAR P32238 2/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL8670555 0.95 LMNA (0.44) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674323 0.92 LMNA (0.42) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8667949 0.91 NOTCH1 (0.42) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674206 0.90 LMNA (0.40) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674054 0.89 PDE3A (0.41) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8676161 0.89 BRD4 (0.42) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674482 0.88 LMNA (0.44) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8676259 0.88 CCKBR (0.43) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674518 0.86 CCKBR (0.40) OPRK1LMNAPDE3ABRD4BRD2
SCHEMBL8674138 0.84 LMNA (0.40) OPRK1LMNAPDE3ABRD4BRD2

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