SCHEMBL9018252

SCHEMBL9018252

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)C3CCCCC3)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CNR1 P21554 1/20 0.38
ADRA1A P35348 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ACKR3 P25106 1/20 0.37
MTNR1A P48039 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 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
SCHEMBL9018275 0.92 ACKR3 (0.41) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL9018074 0.92 MAPT (0.45) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL9018250 0.90 EPHX2 (0.43) CYP2C19MAPTLMNACYP3A4HTR1A
SCHEMBL9018284 0.89 MEN1 (0.38) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL9018301 0.88 CA1 (0.41) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL9018406 0.86 RAB9A (0.45) MEN1KMT2AMAPTLMNANFKB1
SCHEMBL9018435 0.86 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL7874653 0.85 KMT2A (0.41) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL9018505 0.85 MAPT (0.50) MEN1KMT2AMAPTLMNANFKB1
SCHEMBL7867890 0.85 POLB (0.40) MEN1KMT2ACYP2C19MAPTLMNA

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