SCHEMBL7273589

SCHEMBL7273589

CNc1ccc(C=O)cc1NC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 5/20 0.41
TDP1 Q9NUW8 2/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38
HPGD P15428 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
APP P05067 3/20 0.38
KIF11 P52732 2/20 0.37
TYR P14679 1/20 0.37
CYP2A13 Q16696 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL29681880 1.00 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL24281984 0.90 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL22298702 0.88 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL10994369 0.83 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL28387828 0.83 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL15109318 0.83 CYP2A6 (0.43) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL20283367 0.81 PRKCI (0.50) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL29953591 0.81 KDM4E (0.57) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL12433186 0.81 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL12898241 0.81 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501416-A A kind of method that cellulose dihydropyrimidinone derivative is prepared based on multicomponent click chemistry 东华大学 2017-12-22 CN claimed
CN-114589981-B Medical antistatic fabric and preparation method thereof 安徽恒益智能科技股份有限公司 2023-08-04 CN disclosed
CN-114589981-A Medical antistatic fabric and preparation method thereof 安徽恒益纺织科技有限公司 2022-06-07 CN disclosed
CN-107501416-A A kind of method that cellulose dihydropyrimidinone derivative is prepared based on multicomponent click chemistry 东华大学 2017-12-22 CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
EP-0470514-B1 Carbostyril derivatives and pharmaceutical composition containing the same OTSUKA PHARMA CO LTD (JP) 1997-02-19 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5300513-A Vasopressin antagonists; vasodilators, hypotensive agents, water diuretics, and platelet agglutination inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0470514-A1 Carbostyril derivatives and pharmaceutical composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-02-12 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4385115-A SELF CONTAINED MICROORGANISM ANALYSIS HOFFMANN-LA ROCHE INC. (US) 1983-05-24 US disclosed