SCHEMBL9424730

SCHEMBL9424730

NCCCCCNc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ GCGR P47871 1/20 0.38
▸ ACHE P22303 2/20 0.38

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
SCHEMBL9375754 0.83 SOAT1 (0.47) KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9370538 0.75 HPGD (0.47) HPGD
SCHEMBL8216677 0.75 XDH (0.55) KDM4EHPGDSMN1; SMN2PIM1ALDH1A1
SCHEMBL8217527 0.75 KDM4E (0.38) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL8127871 0.74 MAPK14 (0.48) TLR8KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6439777 0.72 BCHE (0.68) SMN1; SMN2
SCHEMBL9370570 0.72 ACAT1 (0.60) —
SCHEMBL9371159 0.71 KDM4E (0.45) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL4640893 0.71 BCHE (0.70) SMN1; SMN2
SCHEMBL8682869 0.71 KDM4E (0.59) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA

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 3 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
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
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