SCHEMBL6805232

SCHEMBL6805232

O=c1c2cc(F)c(N3CC4CCCNC4C3)cc2n(C2CC2)c(=O)n1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 1/20 0.35
USP25 Q9UHP3 4/20 0.32
HTR3A P46098 1/20 0.32
TOP1 P11387 1/20 0.32

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
SCHEMBL6802003 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL7535209 0.94 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7535211 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7010855 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6797651 0.80 PRKD3 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6802382 0.79 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL606463 0.78
SCHEMBL6800877 0.78 GSK3B (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13713249 0.78 GSK3B (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6800873 0.78 GSK3B (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA

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-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP claimed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO claimed
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed