SCHEMBL25850823

SCHEMBL25850823

c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5c4ccc4oc6ccccc6c45)n3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP1A2 P05177 3/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HCRTR1 O43613 1/20 0.34
NPC1 O15118 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL25660662 0.95 TDP1 (0.36) BACE1TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL25505076 0.95 TDP1 (0.38) BACE1TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL22879791 0.95 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL25850691 0.94 TDP1 (0.35) TDP1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22880407 0.94 ALDH1A1 (0.42) TDP1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL25503826 0.94 TDP1 (0.40) BACE1TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL25505257 0.93 PLA2G2A (0.36) BACE1TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL25660660 0.93 ALDH1A1 (0.38) TDP1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL24315133 0.92 BACE1 (0.39) BACE1TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL21148591 0.92 ALDH1A1 (0.40) BACE1TDP1L3MBTL1ALDH1A1KDM4E

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