SCHEMBL30433361

SCHEMBL30433361

CC(C)CS(=O)(=O)c1cc(N)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ TDP1 Q9NUW8 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL9357159 0.78 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL30433135 0.77 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4GAATDP1
SCHEMBL8519995 0.77 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL16369640 0.77 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL3059008 0.75 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL1373524 0.75 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL21834461 0.74 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL29451885 0.73 MCL1 (0.50) ALDH1A1MAPTKDM4ECYP3A4GAA
Potassium Ion SCHEMBL28557203 0.72 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4GAA
SCHEMBL525582 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4GAA

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
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 — — CN disclosed
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