SCHEMBL9045307

SCHEMBL9045307

CC(C)c1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
EDNRA P25101 3/20 0.42
EDNRB P24530 2/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.40
TSHR P16473 1/20 0.40
KIT P10721 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
PGAM1 P18669 1/20 0.38
TRIM24 O15164 1/20 0.37
BRPF1 P55201 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
SCHEMBL9043741 0.90 LMNA (0.56) LMNAKDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL9045520 0.88 EDNRA (0.51) LMNASMN1; SMN2ALDH1A1MAPTEDNRA
SCHEMBL9493462 0.87 EDNRB (0.44) LMNAKDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL9046378 0.85 EDNRA (0.57) ALDH1A1MAPTEDNRAEDNRBTSHR
SCHEMBL9044642 0.84 EDNRA (0.63) EDNRAEDNRB
SCHEMBL9046700 0.84 EDNRA (0.49) ALDH1A1MAPTEDNRAEDNRBKIT
SCHEMBL9677292 0.83 LMNA (0.46) LMNAKDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL9043808 0.83 EDNRB (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTEDNRA
SCHEMBL9047883 0.81 EDNRA (0.45) LMNAMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9047430 0.81 EDNRA (0.47) LMNAKDM4EHSD17B10ALDH1A1EDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed