SCHEMBL10898335

SCHEMBL10898335

Nc1ccc(NCCS(=O)(=O)O)c(C(=O)Nc2ccc(N)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ CASP6 P55212 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ELAVL1 Q15717 1/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.38
▸ NT5E P21589 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ KLKB1 P03952 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
SCHEMBL394298 0.73 MEN1 (0.60) RAPGEF4CASP6KDM4EPOLBGAA
SCHEMBL10899325 0.73 CYP2D6 (0.40) RAPGEF4CASP6KDM4EALDH1A1POLB
SCHEMBL13901546 0.73 CYP2D6 (0.46) RAPGEF4CASP6KDM4EALDH1A1POLB
SCHEMBL9810108 0.72 FADS1 (0.56) KDM4EALDH1A1GAAKMT2ACTDSP1
SCHEMBL10693431 0.71 RAPGEF4 (0.59) RAPGEF4CASP6KDM4EALDH1A1POLB
SCHEMBL4905086 0.70 PTGS1 (0.54) KDM4EALDH1A1MEN1KMT2AENPP2
SCHEMBL17774659 0.70 RAPGEF4 (0.47) RAPGEF4CASP6KDM4EALDH1A1POLB
SCHEMBL10487505 0.70 ENPP2 (0.55) RAPGEF4ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8431328 0.69 RAPGEF4 (0.77) RAPGEF4CASP6KDM4EALDH1A1POLB
SCHEMBL10536567 0.69 CYP2D6 (0.45) RAPGEF4CASP6KDM4EALDH1A1POLB

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-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 — — US disclosed
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