SCHEMBL6986709

SCHEMBL6986709

CC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
PKM P14618 1/20 0.72
MAPK1 P28482 2/20 0.71
HGFAC Q04756 1/20 0.63
MAOB P27338 1/20 0.62
NR1H4 Q96RI1 1/20 0.59
MAPT P10636 5/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.55
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
ALOX5 P09917 1/20 0.53
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL10636579 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL4951809 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL542043 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL18434657 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL5696807 0.87 KMT2A (0.72) KMT2APKMHGFACMAOBNR1H4
SCHEMBL2597339 0.87 KMT2A (0.72) KMT2APKMHGFACMAOBNR1H4
SCHEMBL5345292 0.87 KMT2A (0.72) KMT2APKMMAPK1HGFACMAOB
SCHEMBL295497 0.87 KMT2A (0.72) KMT2APKMHGFACMAOBNR1H4
SCHEMBL12489991 0.87 PKM (0.77) KMT2APKMMAPK1HGFACNR1H4
SCHEMBL16375430 0.87 KMT2A (0.77) KMT2APKMMAPK1HGFACNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934938-B1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2003-01-15 EP disclosed
CN-1072652-C Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 2001-10-10 CN disclosed
US-6121301-A ADMINISTERING TO PREVENT OR TREAT GASTROINTESTINAL DYSMOTILITY; COMPOUNDS SUCH AS 2-((N-(3-CYANOBENZOYL)AMINO)-4-((3-DIISOPROPYLAMINOPROPYL)AMINOCARBONYL)-1,3-THIAZOLE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
CN-1234028-A Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 1999-11-03 CN disclosed
EP-0934938-A1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed