SCHEMBL8947668

SCHEMBL8947668

CNCc1ccc(S(=O)(=O)O)c(NC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.42
KMT2A Q03164 3/20 0.40
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA2 P00918 6/20 0.37
CA3 P07451 1/20 0.37
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 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
SCHEMBL8947597 0.90 CASP6 (0.43) CASP6ENPP2ALDH1A1KDM4EMAPT
SCHEMBL8947532 0.84 CASP6 (0.43) CASP6KMT2AENPP2ALDH1A1MEN1
SCHEMBL8592935 0.76 CASP6 (0.61) CASP6KMT2AENPP2ALDH1A1MEN1
SCHEMBL16272370 0.76 ENPP2 (0.57) CASP6KMT2AENPP2ALDH1A1MEN1
SCHEMBL9646381 0.75 CASP6 (0.46) CASP6KMT2AENPP2ALDH1A1MEN1
SCHEMBL4649652 0.75 CA2 (0.38) CASP6KMT2AALDH1A1MEN1KDM4E
SCHEMBL9459478 0.75 NPC1 (0.50) CASP6KMT2AENPP2ALDH1A1MEN1
SCHEMBL30673688 0.74 ALDH1A1 (0.55) CASP6KMT2AALDH1A1MAPK1CA2
SCHEMBL2342479 0.74 ALDH1A1 (0.55) CASP6KMT2AALDH1A1MAPK1CA2
SCHEMBL8947534 0.73 CA2 (0.44) CASP6KMT2AENPP2ALDH1A1MEN1

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
US-5512663-A Disazo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0622424-A1 Reactive dyes BAYER AG (DE) 1994-11-02 EP disclosed