SCHEMBL28754538

SCHEMBL28754538

COc1ccc(C(=O)N=C=O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 16/20 0.54
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL16590409 0.79 CPS1 (0.39) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL5314369 0.78 CES2 (0.57) ALDH1A1NPC1RAB9A
SCHEMBL1554929 0.78 CPS1 (0.61) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL28053004 0.77 CPS1 (0.59) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL29639738 0.76 ALDH1A1 (0.65) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL531399 0.76 ALDH1A1 (0.65) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL1051747 0.76 CPS1 (0.63) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL8348114 0.76 TRPA1 (0.42) LMNAHPGDKMT2AALDH1A1GAA
SCHEMBL15539727 0.76 MAP2K1 (0.39) —
SCHEMBL72082 0.75 CPS1 (0.61) CPS1MEN1LMNAHPGDKMT2A

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
CN-1732160-A 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORP (KR) 2006-02-08 — — CN disclosed
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