SCHEMBL9536752

SCHEMBL9536752

CC(C)NC(=O)c1ccc(N)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MLYCD O95822 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL9537015 0.86 MAPK14 (0.48) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL9537379 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL9535539 0.83 MAPK14 (0.42) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL9535502 0.82 MAPT (0.46) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL9536970 0.81 HTT (0.56) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL9539328 0.81 PTGS2 (0.50) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL9534376 0.80 MAPK14 (0.46) ALDH1A1KDM4EMAPTHPGDHDAC1
Diethylamine SCHEMBL9537391 0.80 MAPK14 (0.41) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL9536498 0.80 HDAC1 (0.49) HPGDMEN1KMT2AHDAC1NPC1
SCHEMBL9535727 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed