SCHEMBL4919548

SCHEMBL4919548

CCc1nc2c(C)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.55
▸ MGAM O43451 14/20 0.50
▸ GAA P10253 14/20 0.50
▸ SI P14410 14/20 0.50
▸ MGAM2 Q2M2H8 14/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ CBFB Q13951 1/20 0.47

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
SCHEMBL30518181 1.00 DDAH1 (0.55) DDAH1MGAMGAASIMGAM2
SCHEMBL4359045 0.87 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1917210 0.86 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4062820 0.84 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4346855 0.84 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7409334 0.84 MGAM (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18557211 0.83 MGAM (0.45) DDAH1MGAMGAASIMGAM2
SCHEMBL6755252 0.83 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL23497514 0.82 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL7416048 0.82 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 — — EP claimed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 — — WO claimed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 — — WO claimed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 — — EP disclosed
CN-111527593-B Method for manufacturing electronic device 住友电木株式会社 2021-05-04 — — CN disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 — — WO disclosed
CN-111527593-A Method for manufacturing electronic device 住友电木株式会社 2020-08-11 — — CN disclosed
EP-2970074-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS Dow Technology Investments LLC (US) 2016-01-20 — — EP disclosed
WO-2014149915-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS DOW TECHNOLOGY INVESTMENTS LLC (US) 2014-09-25 — — WO disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — EP disclosed
WO-2010016549-A1 TRICYCLIC COMPOUND 協和発酵キリン株式会社 (JP) 2010-02-11 — — WO disclosed
US-20080118633-A1 Methods for creating electronic circuitry comprising phenolic epoxy binder compositions E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-22 — — US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 — — US disclosed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 — — WO disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 — — WO disclosed
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 — — EP disclosed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 — — EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 — — US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 — — EP disclosed
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