SCHEMBL25461308

SCHEMBL25461308

Cc1cc(C)nc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ HPGD P15428 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ CTRC Q99895 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL25460695 0.94 MEN1 (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL25461289 0.91 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL25460536 0.88 LMNA (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL25462122 0.88 MEN1 (0.46) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL16189056 0.85 CYP1A1 (0.51) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL25461122 0.84 CYP1A1 (0.45) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL26592303 0.84 MEN1 (0.46) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL21481685 0.84 MEN1 (0.46) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL21481213 0.84 MEN1 (0.46) CYP1A1CYP1B1MEN1KMT2AHPGD
SCHEMBL26592294 0.84 MEN1 (0.46) CYP1A1CYP1B1MEN1KMT2AHPGD

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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