SCHEMBL10341645

SCHEMBL10341645

O=[N+]([O-])c1ccc(NCCS(=O)(=O)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 1/20 0.55
GAA P10253 2/20 0.52
GLA P06280 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL4816136 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4820005 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6255056 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4824452 0.85 MAPT (0.63) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4819570 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4819578 0.83 MAPT (0.57) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9003269 0.83 MAPT (0.70) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4825310 0.82 MAPT (0.64) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6250721 0.80 MAPT (0.57) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4825305 0.80 MAPT (0.54) MAPTALDH1A1MEN1KMT2ARAB9A

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
EP-0358438-A2 Ethanesulfonamide derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-14 EP disclosed
US-4874771-A ANTISECRETORY, ANTIULCER AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-17 US disclosed