SCHEMBL30438638

SCHEMBL30438638

C=c1cccc(-n2[nH]ccc2=O)c1=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL7553241 0.71 ALDH1A1 (0.42) —
SCHEMBL11094674 0.70 ALDH1A1 (0.57) —
SCHEMBL5705770 0.60 KDM4E (0.33) KDM2BKDM4C
SCHEMBL10883634 0.56 MEN1 (0.37) KDM2BKDM4C
SCHEMBL7471396 0.55 ALDH1A1 (0.61) KDM2BKDM4C
SCHEMBL6863454 0.55 ALKBH5 (0.55) —
SCHEMBL7493780 0.54 DAO (0.31) —
SCHEMBL16034780 0.53 — —
SCHEMBL27359904 0.52 — —
SCHEMBL10816370 0.51 — —

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
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 — — WO disclosed
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