SCHEMBL9768977

SCHEMBL9768977

Cc1ccc(S(=O)(=O)O)c(C)c1N.Nc1c(Cl)cc(S(=O)(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.36
CASR P41180 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CASP6 P55212 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SENP3 Q9H4L4 2/20 0.35
SENP2 Q9HC62 2/20 0.35
SENP1 Q9P0U3 2/20 0.35
SUMO2 P61956 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
SCHEMBL8752158 0.84 MEN1 (0.47) KMT2AMEN1POLBTDP1L3MBTL1
SCHEMBL2865112 0.79 CA1 (0.64) CA2CA1CA9POLBTDP1
SCHEMBL7822495 0.77 CA2 (0.48) CA2CA1CA9KMT2APOLB
SCHEMBL11136702 0.77 MEN1 (0.39) CA2CA1CA9KMT2AMEN1
SCHEMBL7516755 0.77 TDP1 (0.57) CA2CA1CA9POLBTDP1
Hydrochloric Acid SCHEMBL7948500 0.77 CA1 (0.61) CA2CA1CA9POLBTDP1
SCHEMBL9768979 0.75 ALDH1A1 (0.38) CA2KMT2AMEN1POLBCASR
SCHEMBL9232844 0.74 MEN1 (0.39) CA2CA1KMT2AMEN1POLB
SCHEMBL3386873 0.71 FLT1 (0.50) CA2KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL8078814 0.71 MEN1 (0.41) KMT2AMEN1POLBTDP1L3MBTL1

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-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed