SCHEMBL9239498

SCHEMBL9239498

OC(=S)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ENPP2 Q13822 1/20 0.36
NMBR P28336 1/20 0.34
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9234840 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL877052 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1041048 0.83 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1342 0.82 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL9239485 0.82 SIRT2 (0.44) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7988581 0.82 SIRT2 (0.42) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL6771514 0.81 SIRT2 (0.44) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2032778 0.80 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4682888 0.79 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2038903 0.79 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2NMBR

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
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 EP disclosed