SCHEMBL8044446

SCHEMBL8044446

Cc1[nH]c(-c2nnc(Sc3nc4ccc(S(C)(=O)=O)cc4s3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.38
CLK1 P49759 1/20 0.38
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 2/20 0.37
ILK Q13418 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8045077 0.86 PDK1 (0.46) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8050060 0.86 HTT (0.46) KMT2AHTTSMN1; SMN2LMNAMAPT
SCHEMBL8044735 0.86 SMN1; SMN2 (0.40) HTTSMN1; SMN2LMNATP53MAPT
SCHEMBL8051030 0.83 HTT (0.43) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8051920 0.83 TSHR (0.51) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8043083 0.83 HTT (0.43) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8051559 0.82 KDM4E (0.45) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8044702 0.81 ALDH1A1 (0.44) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8043930 0.81 KMT2A (0.44) KMT2AHTTSMN1; SMN2LMNATP53
SCHEMBL8050309 0.79 ALDH1A1 (0.44) KMT2AHTTSMN1; SMN2LMNATP53

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