SCHEMBL8043970

SCHEMBL8043970

c1ccc(-c2csc(Sc3nnnn3-c3nccs3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
HTT P42858 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8044748 0.89 TP53 (0.42) KMT2AMEN1HTTRAB9AHSD17B10
SCHEMBL8044812 0.83 ALDH1A1 (0.52) KMT2AMEN1UBE2MDCUN1D1HTT
SCHEMBL8046536 0.81 KDM4E (0.33) HTTMAPTKDM4EAR
SCHEMBL8044696 0.81 HTT (0.40) KMT2AMEN1UBE2MDCUN1D1HTT
SCHEMBL8042172 0.81 ALDH1A1 (0.38) KMT2AMEN1UBE2MDCUN1D1HTT
SCHEMBL8043071 0.79 TP53 (0.35) KMT2AMEN1HTTRAB9AHSD17B10
SCHEMBL8046744 0.79 ALDH1A1 (0.48) KMT2AMEN1HTTRAB9AHSD17B10
SCHEMBL8045872 0.78 FBP1 (0.40) KMT2AMEN1HTTHSD17B10HTR7
SCHEMBL8044443 0.78 ALDH1A1 (0.49) KMT2AMEN1UBE2MDCUN1D1HTT
SCHEMBL8048673 0.78 MEN1 (0.40) KMT2AMEN1HTTRAB9AALDH1A1

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