SCHEMBL9018030

SCHEMBL9018030

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CNR1 P21554 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BMP1 P13497 2/20 0.35

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
SCHEMBL9018153 0.91 LMNA (0.42) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9140379 0.90 LMNA (0.42) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9018253 0.89 LMNA (0.44) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9018319 0.88 LMNA (0.40) LMNAALDH1A1POLBMMP2
SCHEMBL9018399 0.88 HSD17B10 (0.45) LMNACNR1ALDH1A1POLB
SCHEMBL9018372 0.87 LMNA (0.44) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9018443 0.86 CA1 (0.37) LMNACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9018192 0.85 LMNA (0.40) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9018388 0.85 LMNA (0.41) LMNACYP3A4HTR1AMAPTCYP2C9
SCHEMBL9018101 0.83 EPHX2 (0.43) LMNACYP3A4HTR1AMAPTCYP2C9

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