SCHEMBL6598547

SCHEMBL6598547

O[CH]c1ccc2sccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.66
DYRK1A Q13627 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL6599322 0.83 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL9432076 0.83 CYP2A6 (0.70) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL27727596 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL29952287 0.79 CYP2A6 (1.00) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL632443 0.79 CYP2A6 (1.00) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL13177010 0.79 CYP2A6 (0.66) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL16693049 0.79 CYP2A6 (0.59) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL6958287 0.76 CYP2A6 (0.56) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL6958280 0.76 CYP2A6 (0.56) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL3795444 0.74 CYP2A6 (0.54) CYP2A6MEN1KMT2AKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed