SCHEMBL8549429

SCHEMBL8549429

COc1cc(NS(=O)(=O)c2ccc(F)cc2)cc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN1 P18031 1/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
HTR6 P50406 1/20 0.51
METAP2 P50579 1/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL8548228 0.82 KMT2A (0.59) LMNASMN1; SMN2GAAPOLBTSHR
SCHEMBL7325645 0.82 F2 (0.60) LMNASMN1; SMN2PTPN1GAAMETAP2
SCHEMBL8542455 0.79 POLB (0.65) LMNASMN1; SMN2GAAPOLBTSHR
SCHEMBL7330175 0.78 F2 (0.67) LMNAGAAPOLBKDM4EMAPT
SCHEMBL8543524 0.76 F2 (0.73) LMNASMN1; SMN2HTR6PIK3CDPIK3CA
SCHEMBL8752452 0.75 PGR (0.67) LMNASMN1; SMN2GAAHTR6MEN1
SCHEMBL5124637 0.75 LMNA (0.72) LMNASMN1; SMN2POLBALDH1A1THRB
SCHEMBL5387842 0.75 LMNA (0.72) LMNASMN1; SMN2POLBALDH1A1THRB
SCHEMBL6038132 0.74 ALDH1A1 (0.51) LMNASMN1; SMN2GAAPOLBMEN1
SCHEMBL4822277 0.74 SMN1; SMN2 (0.67) LMNASMN1; SMN2GAAHTR6MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed