SCHEMBL9602701

SCHEMBL9602701

CCN(CC)CCNC([NH])=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 2/20 0.47
KMT2A Q03164 1/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 2/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13655355 0.81 ALDH1A1 (0.53) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL4940443 0.81 KMT2A (0.59) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL2835194 0.79 ALDH1A1 (0.49) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL474091 0.79 ALDH1A1 (0.53) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL14694183 0.79 ALDH1A1 (0.49) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL13762851 0.77 ALDH1A1 (0.47) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL9602707 0.77 ALDH1A1 (0.51) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL14793401 0.77 ALDH1A1 (0.47) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL474196 0.77 KMT2A (0.56) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL8762587 0.77 ALDH1A1 (0.47) ALDH1A1LMNAACHEKMT2ASLC22A2

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