SCHEMBL9630612

SCHEMBL9630612

CN1CCN(CCC(=O)Nc2ccc3cc4cc(NC(=O)CCN5CCN(C)CC5)ccc4cc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
TERT O14746 6/20 0.68
TP53 P04637 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 2/20 0.64
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
NAMPT P43490 1/20 0.58

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
SCHEMBL8701246 0.89 TERT (0.78) LMNAMAPTTERTSMN1; SMN2ALDH1A1
SCHEMBL4293444 0.81 TERT (0.95) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL23706685 0.80 LMNA (0.59) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL29801728 0.80 LMNA (0.59) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL5151404 0.80 TP53 (0.74) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL8244969 0.79 TP53 (0.72) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL6486081 0.79 TP53 (0.72) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL13591868 0.78 L3MBTL1 (0.73) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL13779305 0.78 ALDH1A1 (1.00) LMNAMAPTTERTTP53L3MBTL1
SCHEMBL1356631 0.77 TP53 (0.70) LMNAMAPTTERTTP53L3MBTL1

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-0482119-A1 INTERCALATING AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1992-04-29 EP claimed
WO-1991000265-A1 INTERCALATING AGENTS CANCER RESEARCH TECHNOLOGY LTD. (GB) 1991-01-10 WO claimed