SCHEMBL10879794

SCHEMBL10879794

CC(=O)n1c(C)c(C(=O)c2ccc(F)cc2)n(C(C)=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10875629 0.82 MAPT (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL10921382 0.80 PTPN1 (0.39) LTA4HNPC1RAB9ALMNASMN1; SMN2
SCHEMBL10881031 0.76 TSHR (0.55) LMNASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL10949689 0.74 MAOB (0.34) LTA4HNPC1RAB9ALMNASMN1; SMN2
SCHEMBL10917798 0.74 SRD5A2 (0.49) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL10949682 0.73 ESR2 (0.35) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10878126 0.72 POLB (0.30) —
SCHEMBL10655743 0.67 HPGD (0.52) LMNAKMT2AALDH1A1MAPTHPGD
SCHEMBL238259 0.66 LTA4H (0.73) LTA4HNPC1RAB9ALMNASMN1; SMN2
SCHEMBL8572071 0.66 LTA4H (0.73) LTA4HNPC1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 — — EP disclosed
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
EP-0064704-B1 4-AMINOMETHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-16 — — EP disclosed
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US disclosed
US-4381393-A 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1983-04-26 — — US disclosed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
EP-0064704-A1 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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