SCHEMBL8044136

SCHEMBL8044136

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
ACP1 P24666 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.43
CLK1 P49759 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
WNT3A P56704 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
SCHEMBL8049853 0.91 PKM (0.46) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8046571 0.90 PKM (0.45) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8042929 0.89 PKM (0.44) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8042663 0.88 ACP1 (0.44) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8046298 0.87 PKM (0.47) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8044317 0.86 KMT2A (0.48) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8045974 0.86 ALDH1A1 (0.47) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8043158 0.85 PKM (0.46) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8050213 0.84 PKM (0.44) PKMACP1KMT2ASMN1; SMN2LMNA
SCHEMBL8050169 0.84 ALDH1A1 (0.45) PKMACP1KMT2ASMN1; SMN2LMNA

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