SCHEMBL6993181

SCHEMBL6993181

Nc1cccc2[nH]c(Cc3nc4c(C(=O)O)cccc4[nH]3)nc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
DHODH Q02127 13/20 0.50
PARP1 P09874 4/20 0.49

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
Hydrochloric Acid SCHEMBL7003407 0.99 CHEK1 (0.53) CHEK1KDM4EHPGDDHODHPARP1
SCHEMBL6994637 0.85 CHEK1 (0.56) CHEK1PARP1
SCHEMBL4260461 0.81 KDM4E (0.57) KDM4EHPGDDHODHPARP1
SCHEMBL7001282 0.80 CHEK1 (0.48) CHEK1KDM4EHPGDPARP1
SCHEMBL15808131 0.80 KDM4E (0.56) CHEK1KDM4EHPGDDHODHPARP1
SCHEMBL6841606 0.80 KDM4E (0.56) KDM4EHPGDDHODHPARP1
Hydrochloric Acid SCHEMBL7000612 0.79 CHEK1 (0.47) CHEK1KDM4EHPGD
Hydrochloric Acid SCHEMBL4885974 0.78 KDM4E (0.55) KDM4EHPGDDHODHPARP1
SCHEMBL3790024 0.78 GAA (0.58) CHEK1KDM4E
SCHEMBL8260543 0.77 KDM4E (0.60) KDM4EHPGDDHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 US disclosed