SCHEMBL25089925

SCHEMBL25089925

Cn1c(=O)c2[nH]c(-c3c[nH]c4cccc(Br)c34)nc2n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
FGFR1 P11362 2/20 0.54
FGFR2 P21802 2/20 0.54
FGFR3 P22607 2/20 0.54
ADORA2B P29275 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.50

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
SCHEMBL515556 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL8595301 0.81 KDM4E (0.72) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL25090520 0.74 KDM4E (0.81) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL25090424 0.73 ADORA2B (0.63) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL8596143 0.73 KDM4E (0.76) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL25089919 0.73 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL516349 0.72 KDM4E (0.70) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL29429838 0.72 KDM4E (0.70) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL25090498 0.72 ALDH1A1 (0.58) KDM4EALDH1A1HPGDTDP1ADORA2B
SCHEMBL8598385 0.72 KDM4E (0.69) KDM4EALDH1A1HPGDTDP1ADORA2B

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