SCHEMBL8044768

SCHEMBL8044768

CCOC(=O)Cc1cc[nH]c1C1=NC(=S)N=N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.42
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL8050345 0.77 KMT2A (0.38) KMT2ATDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL8049900 0.75 SMN1; SMN2 (0.41) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL8043885 0.74 KMT2A (0.40) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL2239852 0.74 PKM (0.53) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL8051645 0.73 SMN1; SMN2 (0.43) KMT2ATDP1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2237183 0.72 PKM (0.51) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL26308848 0.71 PKM (0.50) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL8050555 0.69 RPS6KB2 (0.39) KMT2APKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL20157276 0.69 PKM (0.48) KMT2ATDP1PKMHSD17B10SMN1; SMN2
SCHEMBL5180007 0.69 KMT2A (0.51) KMT2ATDP1PKMHSD17B10SMN1; SMN2

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