SCHEMBL25461122

SCHEMBL25461122

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)c5)c(-c5ccncc5)c4)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPK9 P45984 3/20 0.42
▸ MAPK10 P53779 3/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ NTSR1 P30989 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CSNK1D P48730 4/20 0.40

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
SCHEMBL21481688 0.95 MAPK9 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21481211 0.95 MAPK9 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25460593 0.94 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25460735 0.92 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25461004 0.90 MAPK9 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25871434 0.90 MAPK9 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21481425 0.89 MAPK9 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21481680 0.89 MAPK9 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25460124 0.89 SIRT2 (0.41) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL25460479 0.88 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AHPGD

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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