SCHEMBL8046892

SCHEMBL8046892

O=C(Nc1cnc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)s1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PHGDH O43175 2/20 0.42
EGFR P00533 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
GRM4 Q14833 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8043891 0.89 PTGS2 (0.46) MEN1KMT2AALDH1A1USP2PKM
SCHEMBL8050828 0.87 ALDH1A1 (0.48) MEN1KMT2AALDH1A1USP2PKM
SCHEMBL8051515 0.85 HPGD (0.49) EP300MEN1KMT2AALDH1A1USP2
SCHEMBL8044600 0.85 EP300 (0.46) EP300KEAP1NFE2L2MEN1KMT2A
SCHEMBL8042315 0.85 KMT2A (0.46) EP300MEN1KMT2AALDH1A1USP2
SCHEMBL8042810 0.83 ALDH1A1 (0.43) EP300MEN1KMT2AALDH1A1USP2
SCHEMBL8050355 0.83 MAPT (0.44) EP300MEN1KMT2AALDH1A1USP2
SCHEMBL8048023 0.83 ALDH1A1 (0.42) EP300MEN1KMT2AALDH1A1USP2
SCHEMBL8045773 0.83 EP300 (0.45) EP300KEAP1NFE2L2MEN1KMT2A
SCHEMBL8043280 0.82 MAPT (0.41) EP300MEN1KMT2AALDH1A1USP2

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