SCHEMBL9018166

SCHEMBL9018166

O=C(COc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCCC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
SGMS1 Q86VZ5 5/20 0.43
PTPN1 P18031 1/20 0.42
BCL2L1 Q07817 3/20 0.42
MCL1 Q07820 3/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTR1A P08908 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CNR1 P21554 1/20 0.41
ADRA1A P35348 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9018390 0.91 CA1 (0.44) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL9018079 0.90 ALDH1A1 (0.42) POLBALDH1A1GAASMN1; SMN2LMNA
SCHEMBL9138028 0.89 POLB (0.47) POLBALDH1A1GAASMN1; SMN2GLA
SCHEMBL9018210 0.89 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL9018062 0.88 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL9018028 0.87 PTPN1 (0.53) POLBALDH1A1GAASMN1; SMN2SGMS1
SCHEMBL9018384 0.86 LMNA (0.43) POLBALDH1A1GAASMN1; SMN2LMNA
SCHEMBL9018388 0.86 LMNA (0.41) POLBALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL9018268 0.86 RAB9A (0.46) POLBALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL9018267 0.85 HSD17B10 (0.45) POLBALDH1A1SMN1; SMN2LMNACYP3A4

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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed