SCHEMBL8046494

SCHEMBL8046494

O=S(=O)(Nc1ccccc1)c1ccc(-n2nnnc2Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
NPY5R Q15761 1/20 0.39
PHGDH O43175 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
USP8 P40818 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL8034180 0.89 MAPT (0.49) EP300KEAP1NFE2L2MEN1KMT2A
SCHEMBL8043200 0.86 ALDH1A1 (0.43) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL8043931 0.85 PTGS2 (0.43)
SCHEMBL8033669 0.84 KDM1A (0.51) EP300KEAP1NFE2L2MEN1KMT2A
SCHEMBL8037043 0.82 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8043968 0.81 MEN1 (0.45) EP300MEN1KMT2AALDH1A1HPGD
SCHEMBL8032354 0.80 ALDH1A1 (0.46) EP300KEAP1NFE2L2MEN1KMT2A
SCHEMBL8043905 0.80 KDM4E (0.37) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL8050838 0.79 KDM4E (0.36) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8033936 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDHTT

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