SCHEMBL25462452

SCHEMBL25462452

Cc1cc(-c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)c2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.42
WDR48 Q8TAF3 2/20 0.42
CYP19A1 P11511 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CYP2A6 P11509 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL25460950 0.90 LMNA (0.45) LMNASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL25460528 0.87 LMNA (0.47) LMNASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL16189362 0.86 CYP19A1 (0.51) USP1WDR48CYP19A1CYP17A1CYP11B1
SCHEMBL25460090 0.86 SMN1; SMN2 (0.46) CYP19A1CYP17A1CYP11B1CYP11B2LMNA
SCHEMBL25460891 0.84 CYP19A1 (0.43) CYP19A1CYP17A1CYP11B1CYP11B2MKNK1
SCHEMBL25461068 0.82 MEN1 (0.41) LMNASMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL25461540 0.82 ALDH1A1 (0.42) CYP11B1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL25462307 0.82 CYP2A6 (0.58) CYP19A1CYP17A1CYP11B1CYP11B2MKNK1
SCHEMBL25462451 0.82 USP1 (0.46) USP1WDR48CYP19A1CYP17A1CYP11B1
SCHEMBL21982129 0.81 CYP19A1 (0.59) CYP19A1CYP17A1CYP11B1CYP11B2MKNK1

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-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed