SCHEMBL29329231

SCHEMBL29329231

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP2C9 P11712 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP6 P55212 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 0.38
SNCA P37840 2/20 0.36
TDP1 Q9NUW8 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP3 Q9H4L4 1/20 0.35
SENP2 Q9HC62 1/20 0.35
SENP1 Q9P0U3 1/20 0.35

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
SCHEMBL29329235 0.84 ALDH1A1 (0.37) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL14958133 0.84 MEN1 (0.52) ALDH1A1CYP2C9HSD17B10CYP2C19KMT2A
SCHEMBL29331370 0.83 ALDH1A1 (0.31) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL101283 0.82 KMT2A (0.57) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL4296859 0.78 MEN1 (0.56) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL9815014 0.77 MEN1 (0.55) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL28948590 0.77 MEN1 (0.55) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL4437128 0.76 ALDH1A1 (0.35) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19
SCHEMBL4999732 0.74 MEN1 (0.35) KMT2AMEN1
SCHEMBL136734 0.72 MEN1 (0.44) ALDH1A1CYP2C9HSD17B10CASP6CYP2C19

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