SCHEMBL8044955

SCHEMBL8044955

Cn1c(Sc2nc3ccc(S(C)(=O)=O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 2/20 0.44
CYP3A4 P08684 1/20 0.44
CSNK1D P48730 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MIF P14174 1/20 0.41
SCD O00767 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL8051920 0.87 TSHR (0.51) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8046372 0.86 RAB9A (0.41) USP2ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL8044738 0.85 CSNK1D (0.39) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8042112 0.85 CSNK1D (0.39) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8044044 0.85 KMT2A (0.45) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8051273 0.85 TSHR (0.42) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8045522 0.85 PKM (0.44) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL8046376 0.84 SMN1; SMN2 (0.41) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8042322 0.84 ALDH1A1 (0.42) USP2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL8051768 0.83 PDK1 (0.51) USP2ALDH1A1HSD17B10KDM4ENPC1

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