SCHEMBL8900631

SCHEMBL8900631

O=C(O)[C](c1cccs1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ LMNA P02545 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ DAO P14920 1/20 0.48
▸ HPGDS O60760 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ERCC5 P28715 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL9821675 0.81 TP53 (0.66) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL30421622 0.81 TP53 (0.66) TP53L3MBTL1ALDH1A1MAPTTDP1
Propionic Acid SCHEMBL9592677 0.78 ALOX15 (0.58) TP53L3MBTL1ALDH1A1MAPTTDP1
1,2-Dichlorobenzene SCHEMBL29114306 0.77 DAO (0.76) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL7201699 0.75 L3MBTL1 (0.68) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL15979664 0.75 ALDH1A1 (0.68) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL9465761 0.74 TP53 (0.57) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL18050259 0.74 MAPT (0.59) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL18050258 0.74 MAPT (0.59) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL9148337 0.70 LMNA (0.85) TP53L3MBTL1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 — — EP claimed
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