SCHEMBL8777873

SCHEMBL8777873

CN(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ GAA P10253 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ NCOA1 Q15788 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ ALDH1A1 P00352 4/20 0.62
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ GLA P06280 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ P2RX1 P51575 1/20 0.55
▸ SLC12A2 P55011 1/20 0.55
▸ SLC12A5 Q9H2X9 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL5668739 0.85 KMT2A (0.65) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL5222691 0.84 ALDH1A1 (0.70) SMN1; SMN2GAAHTTNCOA1NCOA3
Methyl Alcohol SCHEMBL4957272 0.84 GAA (0.73) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL995085 0.84 GAA (0.77) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL94829 0.82 GAA (0.71) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL4958300 0.82 GAA (0.71) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL27657640 0.82 GAA (0.71) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL4958310 0.82 GAA (0.71) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL30236947 0.81 MAPT (0.78) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL5226448 0.81 MAPT (0.78) SMN1; SMN2GAAHTTNCOA1NCOA3

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
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 — — EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 — — EP disclosed
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 — — US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 — — EP disclosed
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