SCHEMBL8674240

SCHEMBL8674240

CSCCC(C(=O)O)(N(C)C(C)=O)N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.43
KCNH2 Q12809 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NOTCH1 P46531 5/20 0.37
NOTCH3 Q9UM47 4/20 0.37
NOTCH2 Q04721 1/20 0.37
NOTCH4 Q99466 1/20 0.37
SCN9A Q15858 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
RBPJ Q06330 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL8672565 0.91 CCKBR (0.52) CCKBRKCNH2FNTAFNTBNOTCH1
SCHEMBL8669411 0.77 CCKBR (0.43) CCKBRKCNH2FNTAFNTBNOTCH1
SCHEMBL8674499 0.77 CCKBR (0.46) CCKBRKCNH2FNTAFNTBHDAC3
SCHEMBL8801061 0.76 FNTA (0.46) CCKBRKCNH2FNTAFNTBHDAC3
SCHEMBL8940402 0.75 FNTA (0.46) CCKBRKCNH2FNTAFNTB
SCHEMBL8672484 0.75 KCNH2 (0.43) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL8668005 0.75 CCKBR (0.48) CCKBRKCNH2FNTAFNTBSCN9A
SCHEMBL8801333 0.74 FNTA (0.52) CCKBRFNTAFNTBCCKAR
SCHEMBL8800232 0.73 OXTR (0.49) CCKBRKCNH2CCKAR
SCHEMBL8674221 0.73 CCKBR (0.51) CCKBRKCNH2SCN9ACCKAR

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