SCHEMBL27359585

SCHEMBL27359585

N#Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)n3)c2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP1A2 P05177 7/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ABCG2 Q9UNQ0 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 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
SCHEMBL27453608 0.99 MEN1 (0.48) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27359303 0.98 MEN1 (0.44) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27453820 0.94 CYP1A2 (0.42) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27360058 0.90 MEN1 (0.50) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27359388 0.90 MEN1 (0.50) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27453374 0.90 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL27453487 0.90 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL27368757 0.90 MEN1 (0.46) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27359481 0.89 MEN1 (0.49) MEN1KMT2AATMALDH1A1CYP1A2
SCHEMBL27453365 0.87 CYP1A2 (0.40) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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-2024054010-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-14 — — WO disclosed
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