SCHEMBL9018338

SCHEMBL9018338

CC[C@H](C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 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
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC9 O60706 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
SCHEMBL9018006 1.00 MAPT (0.44) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018074 0.93 MAPT (0.45) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018297 0.93 TSHR (0.46) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018314 0.91 MAPT (0.49) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018188 0.89 LMNA (0.42) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018367 0.89 LMNA (0.42) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018409 0.89 MAPT (0.49) MAPTLMNACYP3A4CYP2C9TSHR
SCHEMBL9018149 0.88 ALDH1A1 (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9018285 0.88 ALDH1A1 (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9018264 0.86 CYP3A4 (0.44) MAPTLMNACYP3A4CYP2C9TSHR

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