SCHEMBL8042663

SCHEMBL8042663

CS(=O)(=O)c1ccc2nc(Sc3nnc(CCC(=O)O)s3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CLK1 P49759 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
WNT3A P56704 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
SCHEMBL8045974 0.89 ALDH1A1 (0.47) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8044136 0.88 PKM (0.44) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8050169 0.87 ALDH1A1 (0.45) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8046571 0.87 PKM (0.45) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8042929 0.86 PKM (0.44) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8049853 0.86 PKM (0.46) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8044317 0.85 KMT2A (0.48) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8046298 0.85 PKM (0.47) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8043158 0.84 PKM (0.46) ACP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8050099 0.83 NFKB1 (0.44) KMT2AMEN1ALDH1A1HSD17B10NPC1

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