SCHEMBL22341562

SCHEMBL22341562

O=c1[nH]c2cc([SH](=O)=O)ccc2c(=O)n1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 11/20 0.62
▸ CA12 O43570 8/20 0.62
▸ CA9 Q16790 8/20 0.62
▸ ERCC1 P07992 4/20 0.56
▸ ERCC4 Q92889 4/20 0.56
▸ DNASE1 P24855 2/20 0.56
▸ RNASEH1 O60930 1/20 0.56
▸ ERCC5 P28715 1/20 0.56

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
SCHEMBL29933887 0.77 CA9 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL22341565 0.77 CA9 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29960129 0.77 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29959916 0.73 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL18670498 0.73 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29933774 0.72 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL18213773 0.70 GAA (0.42) —
SCHEMBL24262310 0.70 FEN1 (0.63) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29959783 0.70 FEN1 (0.63) FEN1CA12CA9ERCC1ERCC4
SCHEMBL18670563 0.70 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353154-B3 3-HYDROXY-7-(SULFONYL)QUINAZOLINE-2,4(1H,3H)-DIONE AND 3-HYDROXY-PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES AND RELATED COMPOUNDS AS FLAP-ENDONUCLEASE 1 (FEN-1) INHIBITORS FOR USE IN CANCER THERAPY LUDWIG INST FOR CANCER RES LTD (CH) 2022-10-19 — — EP disclosed
EP-3353154-B1 3-HYDROXY-7-(SULFONYL)QUINAZOLINE-2,4(1H,3H)-DIONE AND 3-HYDROXY-PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES AND RELATED COMPOUNDS AS FLAP-ENDONUCLEASE 1 (FEN-1) INHIBITORS FOR USE IN CANCER THERAPY LUDWIG INST FOR CANCER RES LTD (CH) 2020-08-19 — — EP disclosed
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