SCHEMBL25090517

SCHEMBL25090517

Cn1c(=O)c2[nH]c(-c3ccc(F)c(F)c3F)nc2n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CYP1A2 P05177 2/20 0.58
▸ ADORA2B P29275 2/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL25090647 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL25090354 0.83 KDM4E (0.72) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL25090589 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL25090499 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL25090450 0.79 ADORA2A (0.66) KDM4ECYP1A2ADORA2BADORA3ADORA2A
SCHEMBL25089901 0.78 ADORA2A (0.64) KDM4ECYP1A2ADORA2BADORA3ADORA2A
SCHEMBL25090459 0.77 ADORA2B (0.58) KDM4ECYP1A2ADORA2BADORA3ADORA2A
SCHEMBL25090480 0.77 ALDH1A1 (0.64) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL25090491 0.77 ADORA2B (0.75) KDM4EALDH1A1HPGDCYP1A2ADORA2B
SCHEMBL8596143 0.77 KDM4E (0.76) KDM4EALDH1A1HPGDTDP1CYP1A2

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-2023023867-A1 COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE MCMASTER UNIVERSITY (CA) 2023-03-02 — — WO disclosed
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