SCHEMBL25504334

SCHEMBL25504334

c1ccc2cc(-c3ccc(-c4nc(-c5ccc6c(ccc7oc8ccccc8c76)c5)nc(-c5cccc6oc7cc(-c8ccc9ccccc9c8)ccc7c56)n4)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL25504090 0.98 ALDH1A1 (0.37) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504187 0.98 ALDH1A1 (0.37) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504480 0.98 TDP1 (0.38) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504399 0.98 TDP1 (0.38) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504265 0.98 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1CYP1A2MEN1
SCHEMBL25503307 0.98 TDP1 (0.38) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504261 0.98 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1CYP1A2MEN1
SCHEMBL25503995 0.97 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504186 0.97 ALDH1A1 (0.38) HCRTR1TDP1L3MBTL1CYP1A2KDM4E
SCHEMBL25504335 0.97 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023096318-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 WO disclosed