SCHEMBL15845375

SCHEMBL15845375

CC1(C)c2ccccc2-c2c1c1ccc(-c3ccccc3[N+](=O)[O-])cc1n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ CFTR P13569 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
SCHEMBL15845415 0.92 ALDH1A1 (0.41) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL15845411 0.90 PGR (0.38) ALDH1A1HTTPOLBLMNAPGR
SCHEMBL15845417 0.82 ALDH1A1 (0.41) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL15845403 0.82 PGR (0.38) ALDH1A1POLBMEN1MPIKMT2A
SCHEMBL15845405 0.81 ALDH1A1 (0.40) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL15618117 0.79 ALDH1A1 (0.49) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL31907 0.78 ALDH1A1 (0.50) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL15845394 0.76 PGR (0.39) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL17667116 0.76 L3MBTL1 (0.46) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL16862766 0.76 ALDH1A1 (0.48) ALDH1A1TDP1HTTPOLBMEN1

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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