SCHEMBL8672807

SCHEMBL8672807

NC(CS)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C[C]=O)C1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.59
KCNH2 Q12809 1/20 0.59
SENP1 Q9P0U3 1/20 0.51
NOTCH1 P46531 2/20 0.49
RBPJ Q06330 2/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
CCKAR P32238 1/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL8800985 0.83 OXTR (0.54) CCKBRKCNH2CCKAR
SCHEMBL8667954 0.79 CCKBR (0.48) CCKBRKCNH2CCKAR
SCHEMBL8674133 0.79 CCKBR (0.48) CCKBRKCNH2CCKAR
SCHEMBL8940414 0.79 FNTA (0.54) CCKBRKCNH2CCKAR
SCHEMBL7967402 0.79 CCKBR (0.79) CCKBRKCNH2SENP1NOTCH1RBPJ
SCHEMBL8674526 0.79 CCKBR (0.47) CCKBRKCNH2SENP1CCKAR
SCHEMBL8761230 0.77 CCKBR (0.79) CCKBRKCNH2SENP1NOTCH1RBPJ
SCHEMBL8801329 0.77 CCKBR (0.49) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL4415376 0.77 CCKBR (0.61) CCKBRKCNH2SENP1NOTCH1RBPJ
SCHEMBL8420210 0.77 KCNH2 (0.72) CCKBRKCNH2SENP1CCKARSCN9A

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