SCHEMBL8043083

SCHEMBL8043083

CS(=O)(=O)c1ccc2nc(Sc3nnc(-c4cc5ccccc5s4)n3-c3ccccc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RPA1 P27694 1/20 0.43
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
CLK1 P49759 1/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL8051920 0.87 TSHR (0.51) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8046211 0.85 RPA1 (0.48) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8051030 0.84 HTT (0.43) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8051667 0.84 PDK1 (0.48) HTTKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8049971 0.83 RPA1 (0.49) HTTKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8044446 0.83 KMT2A (0.41) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8051559 0.83 KDM4E (0.45) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8044702 0.81 ALDH1A1 (0.44) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8043930 0.81 KMT2A (0.44) HTTKMT2ASMN1; SMN2LMNATP53
SCHEMBL8043947 0.81 TSHR (0.44) HTTKMT2ASMN1; 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