SCHEMBL25979294

SCHEMBL25979294

c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccc(N(c6ccccc6)c6ccc(-c7cccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc%12c(c%11)oc%11ccc(N(c%13ccccc%13)c%13ccc(-c%14ccccc%14)cc%13)cc%11%12)n%10)c9)c8)c7)cc6)cc45)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
AHR P35869 1/20 0.32
UTRN P46939 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 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
SCHEMBL26779181 0.98 CYP1A2 (0.39) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26779150 0.97 ALDH1A1 (0.39) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26779139 0.97 ALDH1A1 (0.39) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL25975865 0.96 CYP1A2 (0.37) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL25979265 0.96 HSD17B10 (0.37) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26779147 0.94 GAA (0.35) KDM4EALDH1A1MEN1KMT2APGR
SCHEMBL26779167 0.94 GAA (0.35) KDM4EALDH1A1MEN1KMT2APGR
SCHEMBL25978938 0.93 ALDH1A1 (0.36) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL25978662 0.93 ALDH1A1 (0.37) CYP1A2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL25978707 0.93 ALDH1A1 (0.37) CYP1A2KDM4EALDH1A1HSD17B10MEN1

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
EP-4227301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-08-16 EP disclosed