SCHEMBL8041892

SCHEMBL8041892

COCCCn1c(Sc2nc3ccc(C(=O)O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MIF P14174 1/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL8034281 0.88 KMT2A (0.40) MEN1KMT2AGAAKDM4EHTT
SCHEMBL8033172 0.86 MAPT (0.38) MEN1KMT2ATSHRGAAKDM4E
SCHEMBL8048043 0.85 CPB1 (0.43) MEN1KMT2ATSHRGAAKDM4E
SCHEMBL8044044 0.85 KMT2A (0.45) MEN1KMT2ATSHRGAAKDM4E
SCHEMBL8042533 0.85 HDAC6 (0.53) KMT2ATSHRGAAKDM4EPOLB
SCHEMBL8047245 0.85 KDM4E (0.54) MEN1KMT2ATSHRGAAKDM4E
SCHEMBL8048102 0.84 MAPT (0.45) MEN1KMT2ATSHRGAAKDM4E
SCHEMBL8048014 0.80 HSD17B10 (0.57) MEN1KMT2ATSHRKDM4EHTT
SCHEMBL8050857 0.80 HSD17B10 (0.48) MEN1KMT2ATSHRKDM4EHTT
SCHEMBL8042984 0.80 TSHR (0.50) MEN1KMT2ATSHRKDM4EHTT

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