SCHEMBL9370520

SCHEMBL9370520

CCCNCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL18106939 0.86 KDM4E (0.64) KDM4ELMNAHPGDALDH1A1L3MBTL1
SCHEMBL9370222 0.85
SCHEMBL9376463 0.85
SCHEMBL9370618 0.85
Hydrochloric Acid SCHEMBL9370248 0.84
SCHEMBL9215071 0.83 KDM4E (0.68) KDM4ELMNAHPGDALDH1A1L3MBTL1
SCHEMBL8103993 0.81
SCHEMBL9215059 0.80 KDM4E (0.64) KDM4ELMNAHPGDALDH1A1L3MBTL1
SCHEMBL9663829 0.80 PTGS1 (0.75) KDM4ELMNAHPGDALDH1A1L3MBTL1
SCHEMBL9210387 0.80 KDM4E (0.64) KDM4ELMNAHPGDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318984-A Anticholesterol agents which inhibit acetyl coenzyme A transferase THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-07 US disclosed
EP-0372445-B1 Imidazoles for the treatment of atherosclerosis DU PONT MERCK PHARMA (US) 1994-03-09 EP disclosed
US-5166214-A Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed
WO-1991018885-A1 IMIDAZOLES FOR THE TREATMENT OF ATHEROSCLEROSIS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 WO disclosed
EP-0372445-A1 Imidazoles for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-06-13 EP disclosed