SCHEMBL8043885

SCHEMBL8043885

CCOC(=O)Cc1c[nH]c(C2=NC(=S)N=N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32

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
SCHEMBL8049900 0.76 SMN1; SMN2 (0.41) KMT2ATDP1PKMSMN1; SMN2CA12
SCHEMBL8044768 0.74 KMT2A (0.45) KMT2ATDP1PKMSMN1; SMN2CA12
SCHEMBL5739940 0.64 KMT2A (0.44) KMT2ATDP1PKMSMN1; SMN2CA12
SCHEMBL8044837 0.64
SCHEMBL20751417 0.64 PKM (0.47) KMT2ATDP1PKMSMN1; SMN2L3MBTL1
SCHEMBL14309038 0.63 PKM (0.45) KMT2ATDP1PKMSMN1; SMN2CA12
SCHEMBL4394864 0.63 NOS2 (0.54) KMT2ATDP1PKMSMN1; SMN2CA12
SCHEMBL4161939 0.62 SMN1; SMN2 (0.49) KMT2ATDP1PKMSMN1; SMN2L3MBTL1
SCHEMBL68851 0.62 CYP4Z1 (0.62) KMT2APKMSMN1; SMN2L3MBTL1NPC1
SCHEMBL24541184 0.62 KDM4E (0.53) KMT2APKMSMN1; SMN2CA12CA1

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