SCHEMBL15845406

SCHEMBL15845406

CC1(C)c2ccccc2-c2[nH]c3cc(-c4cc(Cl)ccc4[N+](=O)[O-])ccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ PTGES O14684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33

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
SCHEMBL15845398 0.92 PTGS2 (0.39) GSK3BHSD11B1CNR1MAPTMAPK1
SCHEMBL15845377 0.90 ALDH1A1 (0.40) GSK3BTNKS2MAPTMAPK1KMT2A
SCHEMBL15845397 0.85 GSK3B (0.39) GSK3BHSD11B1MAPTMAPK1MEN1
SCHEMBL15845382 0.82 KMT2A (0.39) GSK3BHSD11B1MAPTMAPK1MEN1
SCHEMBL15845389 0.81 KMT2A (0.43) GSK3BMAPTMAPK1KMT2ACCNB2
SCHEMBL26014283 0.78 HSD11B1 (0.41) GSK3BHSD11B1MAPTMAPK1MEN1
SCHEMBL15845411 0.76 PGR (0.38) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL15845403 0.74 PGR (0.38) HSD11B1MAPTMEN1KMT2ANPSR1
SCHEMBL15845413 0.74 MAPT (0.41) MAPTMAPK1MEN1KMT2AGAA
SCHEMBL26014225 0.73 ALDH1A1 (0.46) GSK3BHSD11B1MAPTMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014104665-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
WO-2014104665-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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