SCHEMBL25850891

SCHEMBL25850891

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cc7oc8ccccc8c7c7ccccc67)n5)c34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NOTUM Q6P988 1/20 0.33
PIM1 P11309 1/20 0.33
AHR P35869 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
MAPT P10636 2/20 0.32
PRKDC P78527 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
SCHEMBL25847251 0.95 ALDH1A1 (0.35) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL23819595 0.95 HCRTR1 (0.41) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL25850894 0.94 HCRTR1 (0.35) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL25851139 0.94 ALDH1A1 (0.37) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL25850887 0.94 ALDH1A1 (0.35) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL23820266 0.94 HCRTR1 (0.41) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL25505226 0.93 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL25504261 0.93 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL25504265 0.93 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL23821603 0.93 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1ALDH1A1CYP1A2

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed