SCHEMBL10877331

SCHEMBL10877331

CCCCCNc1ccc2c(S(=O)(=O)O)ccc(O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 1/20 0.56
TNNT2 P45379 1/20 0.56
TNNC1 P63316 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
CNR2 P34972 2/20 0.42
EGFR P00533 3/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAAA Q02083 1/20 0.39
SYK P43405 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
AR P10275 1/20 0.38
CISD1 Q9NZ45 6/20 0.37
TRPV1 Q8NER1 1/20 0.36
PNLIP P16233 1/20 0.36

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
SCHEMBL11837949 0.79 TNNI3 (0.67) TNNI3TNNT2TNNC1HKDC1EGFR
SCHEMBL9306981 0.78 CASP6 (0.57) CNR2ABL1HSD17B10PTGS2
SCHEMBL9243791 0.78 CNR2 (0.46) CNR2ABL1CISD1
SCHEMBL5162119 0.77 TNNI3 (0.47) TNNI3TNNT2TNNC1HKDC1CNR2
SCHEMBL11212315 0.76 PRMT1 (0.59) CNR2ABL1PTGS2ARCISD1
SCHEMBL10893977 0.75 CASP6 (0.57) ABL1HSD17B10AR
SCHEMBL11666957 0.74 ENPP2 (0.53) CNR2EGFRABL1CISD1
SCHEMBL11666959 0.74 ENPP2 (0.53) CNR2EGFRABL1CISD1
SCHEMBL9338716 0.74 PRMT1 (0.59) CNR2ABL1AR
SCHEMBL9484979 0.74 ABL1 (0.55) EGFRABL1HSD17B10NAAASYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079563-B1 WATER SOLUBLE 1:2 METAL COMPLEX AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-08 EP disclosed
EP-0079563-A2 Water soluble 1:2 metal complex azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-25 EP disclosed