SCHEMBL25878778

SCHEMBL25878778

c1ccc(N(c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ APP P05067 1/20 0.30

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
SCHEMBL25878774 0.94 GPR84 (0.32) GPR84NQO1NQO2CYP11B1ALDH1A1
SCHEMBL25878775 0.94 CDK4 (0.32) CDK4CCND1GPR84CYP11B1ALDH1A1
SCHEMBL25879388 0.93 HSD17B1 (0.32) GPR84NQO1NQO2CYP11B1ALDH1A1
SCHEMBL25881403 0.91 HPRT1 (0.32) GPR84NQO1NQO2CYP11B1ALDH1A1
SCHEMBL25878782 0.91 CDK4 (0.32) CDK4CCND1GPR84CYP11B1PIM3
SCHEMBL25879231 0.91 CDK4 (0.37) CDK4CCND1NQO1NQO2PIM3
SCHEMBL25878772 0.90 CA12 (0.38) CDK4CCND1
SCHEMBL25879385 0.90 GPR84 (0.32) GPR84NQO1NQO2CYP11B1ALDH1A1
SCHEMBL25879230 0.89 CDK4 (0.39) CDK4CCND1NQO1NQO2PIM3
SCHEMBL25878770 0.89 CDK4 (0.39) CDK4CCND1NQO1NQO2PIM3

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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