SCHEMBL6901018

SCHEMBL6901018

N#Cc1ccc(C=O)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
STS P08842 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
PIN1 Q13526 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 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
SCHEMBL30355307 1.00 RAD51 (0.43) RAD51CA1CA2STSIMPDH2
SCHEMBL7195384 0.83 RAD51 (0.40) RAD51CA1CA2STSIMPDH2
SCHEMBL7399140 0.81 FFAR1 (0.41) RAD51CA1CA2ENPP2ALDH1A1
SCHEMBL20590003 0.79 ALDH1A1 (0.39) TDP1ALDH1A1CYP2A6
SCHEMBL5613280 0.79 RAD51 (0.40) RAD51CA1CA2STSIMPDH2
SCHEMBL8681576 0.79 RAD51 (0.40) RAD51CA2STSIMPDH2IMPDH1
SCHEMBL24416800 0.78 KDM4E (0.47) DYRK1ATDP1ALDH1A1
SCHEMBL124629 0.78 RAD51 (0.42) RAD51CA1CA2PIN1GABRP
SCHEMBL583644 0.78 ALDH1A1 (0.42) GABRA1GABRG2GABRB3ALDH1A1CYP2A6
SCHEMBL3118289 0.78 RAD51 (0.42) RAD51CA1CA2IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116042033-A Preparation method and application of self-cleaning exterior wall coating 安徽朗凯奇建材有限公司 2023-05-02 CN claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
CN-116438244-A Crosslinkable organosiloxane modified reactive resins 瓦克化学股份公司 2023-07-14 CN disclosed
CN-116042033-A Preparation method and application of self-cleaning exterior wall coating 安徽朗凯奇建材有限公司 2023-05-02 CN disclosed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed