SCHEMBL9637465

SCHEMBL9637465

COc1ccc(NNc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 1/20 0.44
ALDH1A1 P00352 7/20 0.43
PKM P14618 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40

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
SCHEMBL13904619 0.81 L3MBTL1 (0.50) ALDH1A1PKML3MBTL1MAPTKDM4E
SCHEMBL9637459 0.80 CTDSP1 (0.47) ALDH1A1PKMCA1CA2MMP1
SCHEMBL9617251 0.78 PTK2 (0.44) ALDH1A1PKML3MBTL1MAPTLMNA
SCHEMBL9813346 0.78 TIMP3 (0.51) TIMP3ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL9680192 0.77 TIMP3 (0.50) TIMP3ALDH1A1CA1CA2L3MBTL1
SCHEMBL10298588 0.77 HSD17B1 (0.52) ALDH1A1PKML3MBTL1MAPTLMNA
SCHEMBL28911656 0.76 L3MBTL1 (0.42) ALDH1A1PKML3MBTL1MAPTKDM4E
SCHEMBL1726389 0.75 MEN1 (0.61) PKML3MBTL1LMNAKDM4EMEN1
SCHEMBL8981247 0.75 TIMP3 (0.51) TIMP3ALDH1A1CA1CA2L3MBTL1
SCHEMBL4016088 0.74 MEN1 (0.59) PKML3MBTL1LMNAKDM4EMEN1

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-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed