SCHEMBL29933774

SCHEMBL29933774

O=c1[nH]c2ccccc2c(=O)n1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 1.00
CA12 O43570 4/20 1.00
CA9 Q16790 4/20 1.00
ERCC1 P07992 2/20 1.00
ERCC4 Q92889 2/20 1.00
RNASEH1 O60930 1/20 1.00
ERCC5 P28715 1/20 1.00
ALDH1A1 P00352 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
DAO P14920 1/20 0.60
DNASE1 P24855 1/20 0.58
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1520708 1.00 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL24754440 0.81 CA12 (0.68) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29959916 0.78 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL18670498 0.78 FEN1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL3754362 0.76 ALDH1A1 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL430775 0.76 ADORA3 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL29897963 0.76 ADORA3 (1.00) FEN1CA12CA9ERCC1ERCC4
SCHEMBL13947065 0.76 ALDH1A1 (0.61) FEN1CA12CA9ERCC1ERCC4
SCHEMBL19577287 0.76 ALDH1A1 (0.61) FEN1CA12CA9ERCC1ERCC4
SCHEMBL8343584 0.76 ALDH1A1 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303054-B 3-acylamino-1, 3-quinazoline-2-ketone compound and preparation method and application thereof 湖南科技大学 2023-04-07 CN disclosed
CN-108430978-B 3-hydroxy-quinazoline-2, 4-dione derivatives and their use as nuclease modulators 路德维格癌症研究所有限责任公司 2022-11-22 CN disclosed
CN-108430978-B 3-hydroxy-quinazoline-2, 4-dione derivatives and their use as nuclease modulators 路德维格癌症研究所有限责任公司 2022-11-22 CN disclosed
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