SCHEMBL8047129

SCHEMBL8047129

CS(=O)(=O)c1ccc2nc(Sc3nnc(Cc4ccccc4)s3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PKM P14618 1/20 0.43
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
PTGS2 P35354 1/20 0.41
ACP1 P24666 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 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
SCHEMBL8044317 0.91 KMT2A (0.48) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8046298 0.85 PKM (0.47) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8049853 0.84 PKM (0.46) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8045974 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8033021 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8046571 0.84 PKM (0.45) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8042929 0.83 PKM (0.44) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8044136 0.83 PKM (0.44) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8050213 0.83 PKM (0.44) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL8042663 0.82 ACP1 (0.44) KMT2AMEN1ALDH1A1HSD17B10LMNA

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