SCHEMBL7159342

SCHEMBL7159342

ClCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.49
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ENPP2 Q13822 1/20 0.37
CYP19A1 P11511 2/20 0.34
MEN1 O00255 1/20 0.34
SLC22A1 O15245 1/20 0.34
KCNN4 O15554 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
TRPM2 O94759 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34
ERBB2 P04626 1/20 0.34
TP53 P04637 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
Hydrochloric Acid SCHEMBL9531432 0.98 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL2490264 0.92 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL8165853 0.91 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
Hydrochloric Acid SCHEMBL7988290 0.91 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL759 0.87 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
Hydrochloric Acid SCHEMBL6926362 0.85 SIRT2 (0.44) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL19865793 0.84 SIRT2 (0.50) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL4382643 0.84 SIRT2 (0.54) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL8794940 0.84 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL14993551 0.84 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2CYP19A1

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-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed