SCHEMBL10879980

SCHEMBL10879980

COCc1[nH]c(=O)[nH]c1C(=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 3/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ELANE P08246 1/20 0.39

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
SCHEMBL10884329 0.87 HPGD (0.40) HPGDNPC1RAB9ATSHRPDE3B
SCHEMBL7436437 0.82 HPGD (0.44) HPGDNPC1RAB9ATSHRPDE3B
SCHEMBL10876269 0.82 HPGDS (0.42) HPGDNPC1RAB9ATSHRGAA
SCHEMBL10876464 0.77 PDE3B (0.51) HPGDNPC1RAB9ATSHRPDE3B
SCHEMBL10877089 0.77 MEN1 (0.56) HPGDNPC1RAB9ATSHRGAA
SCHEMBL10876292 0.75 PDE3B (0.72) HPGDTSHRPDE3BPDE3AKMT2A
SCHEMBL7434232 0.73 HPGD (0.43) HPGDNPC1RAB9AGAAKMT2A
SCHEMBL10876332 0.73 ALDH1A1 (0.44) HPGDNPC1TSHRGAAPDE3B
SCHEMBL10877366 0.72 PDE3B (0.49) HPGDNPC1RAB9AGAAPDE3B
SCHEMBL10879697 0.72 PDE3B (0.49) HPGDTSHRPDE3BPDE3ANPSR1

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
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — 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
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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