SCHEMBL15845382

SCHEMBL15845382

CC1(C)c2ccccc2-c2[nH]c3cccc(-c4cc(Cl)ccc4[N+](=O)[O-])c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ PGR P06401 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ LMNA P02545 3/20 0.34

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
SCHEMBL15845374 0.88 MGAM (0.45) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL15845397 0.85 GSK3B (0.39) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL15845398 0.82 PTGS2 (0.39) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL15845406 0.82 GSK3B (0.37) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL25491689 0.79 KMT2A (0.44) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL15845394 0.74 PGR (0.39) KMT2AMAPTMEN1MAPK1GSK3B
SCHEMBL15845408 0.73 MAPT (0.40) KMT2AMAPTMEN1MAPK1HPGD
SCHEMBL15845389 0.73 KMT2A (0.43) KMT2AMAPTMAPK1GSK3BGAA
SCHEMBL15845377 0.73 ALDH1A1 (0.40) KMT2AMAPTMAPK1GSK3BGAA
SCHEMBL25561346 0.72 MAPK1 (0.56) KMT2AMAPTMEN1MAPK1GSK3B

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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