SCHEMBL29451885

SCHEMBL29451885

CN(C)S(=O)(=O)c1cc(N)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ TDP1 Q9NUW8 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RECQL P46063 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ THRB P10828 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL29451283 0.87 ALDH1A1 (0.40) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL29452074 0.83 GAA (0.55) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL25300507 0.81 MCL1 (0.51) MCL1ALDH1A1KDM4EESR2TDP1
SCHEMBL8519995 0.81 ALDH1A1 (0.53) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL16369640 0.80 ALDH1A1 (0.62) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL1373524 0.79 ALDH1A1 (0.61) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL3059008 0.79 ALDH1A1 (0.61) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL22409045 0.77 GSTO1 (0.50) MCL1ALDH1A1MAPTCYP3A4MEN1
SCHEMBL21834461 0.77 ALDH1A1 (0.59) MCL1ALDH1A1KDM4EMAPTGAA
SCHEMBL1913490 0.77 CA1 (0.44) MCL1ALDH1A1KDM4EMAPTGAA

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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