SCHEMBL9601923

SCHEMBL9601923

CC(N)=CC(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL9601917 1.00 TSHR (0.56) TSHRMAPTTDP1GAAMAPK1
SCHEMBL14562644 0.79 MAPK1 (0.56) TSHRTDP1GAAMAPK1HIF1A
SCHEMBL1461242 0.79 GAA (0.60) TSHRMAPTTDP1GAAKDM4E
SCHEMBL33262 0.79 TDP1 (0.61) TSHRMAPTTDP1GAAALDH1A1
SCHEMBL793119 0.78 MEN1 (0.57) TSHRTDP1MAPK1HIF1AKDM4E
SCHEMBL8145097 0.77 TDP1 (0.59) TSHRMAPTTDP1GAAALDH1A1
SCHEMBL11113425 0.77 TDP1 (0.52) TSHRMAPTTDP1KDM4EALDH1A1
SCHEMBL2746895 0.77 GAA (0.63) TSHRMAPTTDP1GAAKDM4E
SCHEMBL3631757 0.76 TSHR (0.50) TSHRMAPTTDP1GAAMAPK1
SCHEMBL17152510 0.76 TSHR (0.47) TSHRMAPTTDP1GAAMAPK1

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 6 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-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 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