SCHEMBL9537015

SCHEMBL9537015

CNC(=O)c1ccc(N)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
HDAC1 Q13547 6/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ACSS2 Q9NR19 1/20 0.40
BRAF P15056 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PLAU P00749 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL9536752 0.86 ALDH1A1 (0.43) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9535539 0.86 MAPK14 (0.42) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9535502 0.85 MAPT (0.46) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9534376 0.83 MAPK14 (0.46) MAPK14HDAC1ALDH1A1KDM4EMAPT
Diethylamine SCHEMBL9537391 0.83 MAPK14 (0.41) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9536498 0.83 HDAC1 (0.49) HDAC1HPGDHDAC3HDAC2NCOR2
SCHEMBL9538792 0.82 MAPT (0.40) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9535727 0.82 ALDH1A1 (0.40) MAPK14HDAC1ALDH1A1KDM4EMAPT
SCHEMBL9537206 0.80 USP7 (0.51) MAPK14ALDH1A1KDM4EMAPT
SCHEMBL9535978 0.80 MAPT (0.53) HDAC1ALDH1A1MAPTHPGDHDAC6

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