SCHEMBL9536498

SCHEMBL9536498

Nc1ccc(C(=O)Nc2ccccc2)cc1Sc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HDAC3 O15379 7/20 0.48
NCOR2 Q9Y618 7/20 0.48
HDAC2 Q92769 6/20 0.48
KCNK3 O14649 2/20 0.48
POLB P06746 2/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HPGD P15428 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9535978 0.83 MAPT (0.53) HDAC1HDAC3NCOR2HDAC2HPGD
SCHEMBL9537015 0.83 MAPK14 (0.48) HDAC1HDAC3NCOR2HDAC2HPGD
SCHEMBL9536532 0.82 KMT2A (0.52) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL9536986 0.80 PTGS1 (0.48) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL9535539 0.80 MAPK14 (0.42) HDAC1HDAC3NCOR2HDAC2HPGD
SCHEMBL9536752 0.80 ALDH1A1 (0.43) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL9534376 0.79 MAPK14 (0.46) HDAC1HPGD
SCHEMBL9535502 0.78 MAPT (0.46) HDAC1HDAC3NCOR2HDAC2POLB
Diethylamine SCHEMBL9537391 0.77 MAPK14 (0.41) HDAC1HDAC3NCOR2HDAC2HPGD
SCHEMBL9535727 0.75 ALDH1A1 (0.40) HDAC1KMT2AHDAC3HPGD

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