SCHEMBL8044862

SCHEMBL8044862

CCCCc1nnc(Sc2ncc(NC(=O)c3ccccc3)s2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
SRC P12931 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TRPV1 Q8NER1 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8044422 0.95 RAB9A (0.46) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8052179 0.90 RAB9A (0.48) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8051149 0.89 GLS (0.47) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8045973 0.88 RAB9A (0.59) GLSNPC1RAB9ASMN1; SMN2SRC
SCHEMBL8051385 0.88 GLS (0.46) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8033853 0.87 NPC1 (0.44) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8044142 0.86 ALDH1A1 (0.47) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8048704 0.86 NPSR1 (0.45) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8049839 0.85 KMT2A (0.52) GLSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8050097 0.85 NPC1 (0.58) GLSNPC1RAB9ASMN1; SMN2TP53

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed