SCHEMBL29329248

SCHEMBL29329248

CC1=Nc2ccc3ccc(S(=O)(=O)O)cc3c2C1(C)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP2C9 P11712 3/20 0.37
CASP6 P55212 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SNCA P37840 2/20 0.35
TDP1 Q9NUW8 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CASP3 P42574 1/20 0.32
POLB P06746 1/20 0.32
PARG Q86W56 3/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
CYP1A2 P05177 2/20 0.32
F2 P00734 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL101318 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL29329235 0.84 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL29331376 0.83 FOLH1 (0.32) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL101283 0.83 KMT2A (0.57) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL17119895 0.80 MEN1 (0.33) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL23541423 0.74 GAA (0.40) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL4296859 0.74 MEN1 (0.56) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL9815014 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL28948590 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1CYP2C9CASP6
SCHEMBL1714540 0.72 CASP6 (0.36) MEN1KMT2AALDH1A1CYP2C9CASP6

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-20240240249-A1 CYANINE DERIVATIVES AND RELATED USES ELEMENT BIOSCIENCES, INC. 2024-07-18 US disclosed