SCHEMBL25461289

SCHEMBL25461289

Cc1cc(C)nc(-c2ccc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c3)cc2-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ CTRC Q99895 1/20 0.44
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ MAPT P10636 7/20 0.43
▸ HPGD P15428 7/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ NTSR1 P30989 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 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
SCHEMBL25461308 0.91 CYP1A1 (0.46) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL25461294 0.91 CYP1A1 (0.49) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL16189056 0.84 CYP1A1 (0.51) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL16189072 0.84 CYP1A1 (0.51) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL25460695 0.84 MEN1 (0.51) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL16189549 0.84 CYP1A1 (0.51) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL16189553 0.84 CYP1A1 (0.54) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL25460524 0.84 LMNA (0.49) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25461293 0.83 CYP1A1 (0.43) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL25460778 0.83 MEN1 (0.49) MEN1KMT2AMAPTHPGDALDH1A1

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
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