SCHEMBL8043930

SCHEMBL8043930

CC(C)(C)c1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 7/20 0.41
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
CLK1 P49759 1/20 0.40
MEN1 O00255 4/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL8043094 0.85 ALDH1A1 (0.44) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8041911 0.83 PDK1 (0.51) KMT2ASMN1; SMN2HTTLMNAMAPT
SCHEMBL8050930 0.83 NFKB1 (0.45) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8050718 0.83 HTT (0.51) KMT2ASMN1; SMN2HTTLMNAMAPT
SCHEMBL8051920 0.81 TSHR (0.51) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8051030 0.81 HTT (0.43) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8043083 0.81 HTT (0.43) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8044446 0.81 KMT2A (0.41) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8051559 0.81 KDM4E (0.45) KMT2ASMN1; SMN2HTTLMNATP53
SCHEMBL8033626 0.80 KMT2A (0.42) KMT2ASMN1; SMN2HTTLMNATP53

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