Quinoxaline

Quinoxaline

SCHEMBL8626046

CN(C)C(=S)SCc1ccccc1.c1ccc2nccnc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 4/20 0.41
HKDC1 Q2TB90 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PAX8 Q06710 1/20 0.40
IDO1 P14902 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL1158069 0.87 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL9153740 0.78 SMN1; SMN2 (0.45) CA12CA1CA2CA9MEN1
Quinoxaline SCHEMBL27407217 0.75 MGLL (0.59) CA12CA1CA2CA9KMT2A
SCHEMBL7810369 0.74 CA12 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL8406371 0.72 MGLL (0.50) CA12CA1CA2CA9MGLL
SCHEMBL11131514 0.71 MGLL (0.50) CA12CA1CA2CA9MEN1
Thiram SCHEMBL9352185 0.70 MGLL (0.58) CA12CA1CA2CA9MEN1
Dibenzyl Disulfide SCHEMBL9351030 0.70 MGLL (0.58) CA12CA1CA2CA9MEN1
SCHEMBL9800118 0.70 SMN1; SMN2 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL148444 0.70 MGLL (0.59) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646476-B1 LITHOGRAPHIC PRINTING ORIGINAL PLATE AND METHOD FOR PRODUCING THE SAME ASAHI CHEMICAL IND (JP) 1998-06-24 EP disclosed
US-5569573-A Lithographic printing original plates and platemaking process using the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-10-29 US disclosed
EP-0646476-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE AND METHOD FOR PRODUCING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-04-05 EP disclosed