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SCHEMBL19486809

SCHEMBL19486809

C1=Cc2ccc3ccc(-c4cc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)nc3c2NC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL19486562 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22083371 0.83 CYP17A1 (0.33) PARP1PIM1PIM2
SCHEMBL21985122 0.83 NISCH (0.33) PARP1PIM1PIM2
SCHEMBL24250861 0.81 PARP1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18902560 0.80 PARP1 (0.30) PARP1PIM1PIM2
SCHEMBL23511405 0.79 PARP1 (0.33) PARP1PIM1PIM2
SCHEMBL16433970 0.78 CYP17A1 (0.33) PARP1PIM1PIM2
SCHEMBL23470439 0.78 PIM1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19486662 0.77 TOP1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17122800 0.75 PIM1 (0.37) PARP1PIM1PIM2

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-2017179809-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-19 — — WO disclosed