SCHEMBL29329235

SCHEMBL29329235

CC1=Nc2c(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)cc3c2C1(C)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 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
CYP1A2 P05177 3/20 0.34
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SNCA P37840 1/20 0.33

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
SCHEMBL29331363 0.85
SCHEMBL29329248 0.84 MEN1 (0.39) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL29329231 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL29331376 0.75 FOLH1 (0.32) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL101318 0.71 MEN1 (0.36) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL101283 0.70 KMT2A (0.57) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL14958133 0.69 MEN1 (0.52) ALDH1A1CYP2C9CYP2C19HSD17B10CYP1A2
SCHEMBL29331370 0.68 ALDH1A1 (0.31) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL4437128 0.67 ALDH1A1 (0.35) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL4296859 0.66 MEN1 (0.56) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10

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