SCHEMBL5492048

SCHEMBL5492048

COc1ccc(NC(=O)c2ccccc2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.75
NPC1 O15118 6/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
ALDH1A1 P00352 2/20 0.75
TP53 P04637 1/20 0.75
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NQO2 P16083 1/20 0.68
CASP3 P42574 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
POLB P06746 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
SETD7 Q8WTS6 1/20 0.65
ATM Q13315 1/20 0.65
KDM4E B2RXH2 1/20 0.65
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65
NAMPT P43490 1/20 0.64
NLRP3 Q96P20 1/20 0.63

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
SCHEMBL14347581 0.88 KMT2A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL5724139 0.88 NAMPT (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL28922759 0.88 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2176371 0.86 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6809719 0.86 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL21357031 0.86 NPC1 (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL5473499 0.86 KCNK9 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL4248538 0.86 NPC1 (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL18407544 0.86 NPC1 (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11492739 0.86 SMO (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111693633-A Method for detecting 3,4-dimethoxy benzoyl chloride in itopride hydrochloride 珠海润都制药股份有限公司 2020-09-22 CN claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
CN-111693633-B Method for detecting 3,4-dimethoxy benzoyl chloride in itopride hydrochloride 珠海润都制药股份有限公司 2023-01-17 CN disclosed
CN-111693633-A Method for detecting 3,4-dimethoxy benzoyl chloride in itopride hydrochloride 珠海润都制药股份有限公司 2020-09-22 CN disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed