SCHEMBL15845411

SCHEMBL15845411

CC1(C)c2ccccc2-c2c1c1ccc(-c3cc(Cl)ccc3[N+](=O)[O-])cc1n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.38
▸ MAT2A P31153 5/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ EIF4E P06730 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
SCHEMBL15845403 0.93 PGR (0.38) PGRHSD11B1MAPTPOLBSIRT2
SCHEMBL15845375 0.90 ALDH1A1 (0.41) PGRMAPTPOLBHTTALDH1A1
SCHEMBL15845394 0.85 PGR (0.39) PGRHSD11B1MAPTPOLBSIRT2
SCHEMBL15845408 0.85 MAPT (0.40) PGRHSD11B1MAPTPOLBSIRT2
SCHEMBL15845415 0.82 ALDH1A1 (0.41) PGRPOLBHTTALDH1A1LMNA
SCHEMBL16671030 0.80 L3MBTL1 (0.42) MAT2AMAPTPOLBSIRT2HTT
SCHEMBL26014283 0.76 HSD11B1 (0.41) PGRHSD11B1MAPTALDH1A1NPSR1
SCHEMBL15845406 0.76 GSK3B (0.37) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL15845417 0.75 ALDH1A1 (0.41) PGRMAPTHTTALDH1A1NPSR1
SCHEMBL15845405 0.74 ALDH1A1 (0.40) PGRMAPTPOLBSIRT2HTT

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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