SCHEMBL9601872

SCHEMBL9601872

CCN(C)CCCNC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
DNM1 Q05193 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
RPS6KA3 P51812 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL7763881 0.90 CHEK1 (0.42) DNM1CHEK1DAPK3ROCK2CHEK2
SCHEMBL19632141 0.86 DNM1 (0.34) KDM5AKDM4CDNM1ALDH1A1CHEK1
SCHEMBL16382084 0.84 CHEK1 (0.40) DNM1CHEK1DAPK3ROCK2CHEK2
SCHEMBL9729528 0.82 ALDH1A1 (0.56) ALDH1A1APPACKR3LMNA
SCHEMBL15830212 0.82 KDM4E (0.54) KDM5AKDM4CDNM1ALDH1A1MEN1
SCHEMBL186589 0.81 DNM1 (0.52) DNM1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9601867 0.80 KDM5A (0.42) KDM5AKDM4CDNM1ALDH1A1CHEK1
SCHEMBL5845365 0.80 KDM5A (0.35) KDM5AKDM4CDNM1ALDH1A1CHEK1
Hydrochloric Acid SCHEMBL6673670 0.79 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6674841 0.79 DNM1 (0.50) DNM1ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed