SCHEMBL15845408

SCHEMBL15845408

CC1(C)c2ccccc2-c2c1c1cccc(-c3cc(Cl)ccc3[N+](=O)[O-])c1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ POLB P06746 3/20 0.40
▸ PGR P06401 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ S1PR4 O95977 1/20 0.34
▸ XBP1 P17861 1/20 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
SCHEMBL15845405 0.89 ALDH1A1 (0.40) MAPTPOLBPGRNPSR1LMNA
SCHEMBL15845394 0.85 PGR (0.39) MAPTPOLBPGRHSD11B1NPSR1
SCHEMBL15845403 0.85 PGR (0.38) MAPTPOLBPGRHSD11B1NPSR1
SCHEMBL15845411 0.85 PGR (0.38) MAPTPOLBPGRHSD11B1NPSR1
SCHEMBL15845375 0.76 ALDH1A1 (0.41) MAPTPOLBPGRLMNAGAA
SCHEMBL15845415 0.76 ALDH1A1 (0.41) POLBPGRLMNAMEN1KMT2A
SCHEMBL15845397 0.73 GSK3B (0.39) MAPTPOLBPGRHSD11B1NPSR1
SCHEMBL15845382 0.73 KMT2A (0.39) MAPTPOLBPGRHSD11B1NPSR1
SCHEMBL15860670 0.73 PARP14 (0.41) MAPTPGRNPSR1LMNAGAA
SCHEMBL19501151 0.73 L3MBTL1 (0.40) MAPTPOLBHSD11B1NPSR1LMNA

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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