SCHEMBL8947532

SCHEMBL8947532

CC(=O)Nc1cc(CN)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA3 P07451 1/20 0.40
ENPP2 Q13822 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PSIP1 O75475 1/20 0.38
NPC1 O15118 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
CASR P41180 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
CFD P00746 1/20 0.37

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
SCHEMBL8947534 0.89 CA2 (0.44) CASP6KDM4ESMN1; SMN2CA2CA1
SCHEMBL8947668 0.84 CASP6 (0.42) CASP6KDM4ECA2CA1CA9
SCHEMBL9300296 0.83 PSIP1 (0.37) CASP6KDM4ESMN1; SMN2CA2CA1
SCHEMBL9459478 0.80 NPC1 (0.50) CASP6KDM4ESMN1; SMN2CA2CA1
SCHEMBL8592935 0.78 CASP6 (0.61) CASP6KDM4ECA2CA1CA9
SCHEMBL16272370 0.78 ENPP2 (0.57) CASP6KDM4ESMN1; SMN2CA2CA1
SCHEMBL13164165 0.76 CA1 (0.45) KDM4ESMN1; SMN2CA2CA1CA9
SCHEMBL9646381 0.76 CASP6 (0.46) CASP6KDM4ECA2CA1CA9
SCHEMBL30673688 0.75 ALDH1A1 (0.55) CASP6SMN1; SMN2CA2CA1CA9
SCHEMBL2342479 0.75 ALDH1A1 (0.55) CASP6SMN1; SMN2CA2CA1CA9

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