SCHEMBL8976324

SCHEMBL8976324

O=C(O)CCNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.61
NSD2 O96028 3/20 0.61
NT5E P21589 2/20 0.61
DUSP3 P51452 2/20 0.61
PTPN5 P54829 2/20 0.61
PTPN11 Q06124 2/20 0.61
CASP7 P55210 1/20 0.61
PRMT1 Q99873 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL14645371 0.91 PRMT1 (0.63) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9789237 0.89 NT5E (0.67) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8976145 0.87 CASP6 (0.64) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL14645429 0.85 PRMT1 (0.56) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8377060 0.85 CASP6 (0.61) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL10580903 0.84 NT5E (0.64) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL10891672 0.84 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9342332 0.84 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8115834 0.84 NT5E (0.67) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL10893977 0.82 CASP6 (0.57) CASP6NSD2NT5EDUSP3PTPN5

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-5580965-A Disazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-4591634-A GOOD BUILD-UP CAPACITY AND COMBINABILITY BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed