SCHEMBL9018372

SCHEMBL9018372

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC3CCCCC3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
BLM P54132 2/20 0.44
HTR1A P08908 1/20 0.44
NFKB1 P19838 1/20 0.44
CNR1 P21554 1/20 0.44
ADRA1A P35348 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCC8 Q09428 2/20 0.38
BMP1 P13497 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL9018253 0.93 LMNA (0.44) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018170 0.92 LMNA (0.46) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018192 0.92 LMNA (0.40) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018153 0.90 LMNA (0.42) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018388 0.90 LMNA (0.41) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9139902 0.88 LMNA (0.49) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018200 0.88 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2ATP53
SCHEMBL9018409 0.87 MAPT (0.49) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018030 0.87 LMNA (0.39) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018451 0.86 HSD17B10 (0.50) LMNASMN1; SMN2ALDH1A1KMT2ATP53

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