SCHEMBL5320792

SCHEMBL5320792

Cc1ccccc1NCC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
AGTR1 P30556 5/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 6/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.52
NPC1 O15118 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP3A4 P08684 2/20 0.50
AKR1C3 P42330 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ITGB3 P05106 1/20 0.50

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
SCHEMBL196636 0.83 ITGB3 (0.64) RAB9AKDM4EHPGDPOLBMAPT
Hydrochloric Acid SCHEMBL2238159 0.83 ITGB3 (0.64) RAB9AKDM4EHPGDPOLBMAPT
SCHEMBL11274238 0.82 ALDH1A1 (0.55) RAB9AAGTR1KDM4EHPGDPOLB
SCHEMBL9768029 0.81 ALPL (0.56) RAB9AAGTR1KDM4EPOLBMAPT
SCHEMBL6994298 0.79 MAPT (0.57) RAB9AKDM4EHPGDPOLBMAPT
SCHEMBL151049 0.79 AGTR1 (0.56) RAB9AAGTR1KDM4EHPGDMAPT
SCHEMBL28095642 0.79 AGTR1 (0.65) RAB9AAGTR1KDM4EHPGDMAPT
SCHEMBL6560025 0.78 KMT2A (0.66) RAB9AAGTR1KDM4EHPGDPOLB
SCHEMBL4572861 0.78 MAPT (0.55) RAB9AKDM4EHPGDPOLBMAPT
SCHEMBL6537211 0.77 RAB9A (1.00) RAB9AHPGDPOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818639-B Synthesis method of N-imido imidazole compound 东华理工大学 2021-03-02 CN disclosed
CN-110818639-A Synthesis method of N-imido imidazole compound 东华理工大学 2020-02-21 CN disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed