SCHEMBL3664564

SCHEMBL3664564

CCCCCCC(N)(C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN5A Q14524 3/20 0.46
SCN9A Q15858 3/20 0.46
KIF11 P52732 1/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
CYP2D6 P10635 1/20 0.42
NAAA Q02083 1/20 0.41
EGFR P00533 1/20 0.40
EPHX1 P07099 3/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3664383 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL28419010 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL28416200 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL28419024 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL16586535 0.98 CYP1A2 (0.47) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL372366 0.93 KIF11 (0.49) CYP1A2MEN1KMT2ASCN5ASCN9A
SCHEMBL1478852 0.86 CYP1A2 (0.51) CYP1A2MEN1KMT2AKIF11GAA
SCHEMBL22326267 0.84 CNR1 (0.45) CYP1A2ALDH1A1HTT
SCHEMBL28638861 0.83 KIF11 (0.45) CYP1A2SCN5ASCN9AKIF11GAA
SCHEMBL7919119 0.83 MEN1 (0.46) CYP1A2MEN1KMT2AEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033043-B N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of drug 中国人民解放军第二军医大学 2019-04-30 CN claimed
CN-107033043-A N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of medicine 中国人民解放军第二军医大学 2017-08-11 CN claimed
CN-106749373-B Rubber additive and preparation and application thereof 同济大学 2020-06-26 CN disclosed
CN-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed
EP-2235202-B1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX SA (FR) 2013-06-19 EP disclosed
US-8404460-B2 Method for detecting and/or identifying Clostridium difficile BIOMERIEUX (FR) 2013-03-26 US disclosed
CN-101970682-A Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2011-02-09 CN disclosed
US-20100279330-A1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX (FR) 2010-11-04 US disclosed
EP-2235202-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE Biomérieux (FR) 2010-10-06 EP disclosed
WO-2009092982-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE bioMérieux (FR) 2009-07-30 WO disclosed