SCHEMBL8947597

SCHEMBL8947597

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.43
CA2 P00918 6/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
ENPP2 Q13822 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TIMP3 P35625 1/20 0.38
CA3 P07451 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8947668 0.90 CASP6 (0.42) CASP6CA2CA1CA9ENPP2
SCHEMBL8947534 0.83 CA2 (0.44) CASP6CA2CA1CA9ENPP2
SCHEMBL16015147 0.78 KMT2A (0.48) CASP6CA2CA1CA9ENPP2
SCHEMBL9644847 0.76 CASP6 (0.46) CASP6CA2CA1CA9ENPP2
SCHEMBL3830815 0.76 RAPGEF4 (0.59) CASP6CA2CA1CA9ENPP2
SCHEMBL4649732 0.76 CTDSP1 (0.46) CASP6CA2CA1MAPTPOLB
SCHEMBL10958088 0.75 MEN1 (0.53) CASP6CA2CA1CA9ENPP2
SCHEMBL29564545 0.75 CA2 (0.52) CASP6CA2CA1CA9ENPP2
SCHEMBL10298588 0.74 HSD17B1 (0.52) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL4649652 0.73 CA2 (0.38) CASP6CA2CA1MAPTPOLB

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