SCHEMBL8043976

SCHEMBL8043976

CS(=O)(=O)c1ccc2nc(Sc3nnnn3CC(=O)O)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ACP1 P24666 1/20 0.43
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 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
SCHEMBL8043670 0.88 PKM (0.44) ACP1ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8042747 0.86 PKM (0.42) ACP1ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8042716 0.85 ALDH1A1 (0.52) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8051850 0.84 PKM (0.41) TSHRACP1ALDH1A1KMT2AMEN1
SCHEMBL8033934 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL8050220 0.83 MAPT (0.43) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8044630 0.82 PDK1 (0.53) TSHRACP1ALDH1A1KMT2AMEN1
SCHEMBL8033856 0.82 PKM (0.46) KDM4EACP1ALDH1A1KMT2AMEN1
SCHEMBL8043502 0.82 PKM (0.39) KDM4EACP1ALDH1A1KMT2AMEN1
SCHEMBL8041894 0.82 PKM (0.39) ACP1ALDH1A1KMT2AMEN1HSD17B10

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