SCHEMBL7819059

SCHEMBL7819059

CCCc1nnc(Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.67
MAPK9 P45984 8/20 0.67
MAPK10 P53779 1/20 0.61
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
TLR9 Q9NR96 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
AGTR1 P30556 2/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8044706 0.94 MAPK8 (0.63) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8046186 0.89 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033991 0.87 MAPK8 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8051317 0.84 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044004 0.84 MAPK8 (0.57) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8045806 0.83 MAPK8 (0.63) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8032504 0.83 MAPK8 (0.54) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL11430427 0.83 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033216 0.83 MAPK8 (0.56) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8037040 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007042-A4 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN INC (US) 2001-07-04 EP disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
EP-1007042-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION Sugen, Inc. (US) 2000-06-14 EP disclosed
WO-1998056376-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-12-17 WO disclosed