SCHEMBL15845405

SCHEMBL15845405

CC1(C)c2ccccc2-c2c1c1cccc(-c3ccccc3[N+](=O)[O-])c1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GUSB P08236 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KLK3 P07288 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ CCR6 P51684 1/20 0.36

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
SCHEMBL15845408 0.89 MAPT (0.40) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL15845417 0.83 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1HTTMEN1
SCHEMBL15845375 0.81 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1HTTMEN1
SCHEMBL15845415 0.81 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1HTTMEN1
SCHEMBL16275939 0.78 LMNA (0.36) ALDH1A1TDP1FGFR1HTTMEN1
SCHEMBL15894434 0.76 ABCG2 (0.36) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL16482551 0.76 PGR (0.37) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL17861293 0.75 KDM4E (0.46) ALDH1A1TDP1FGFR1MEN1KMT2A
SCHEMBL15845411 0.74 PGR (0.38) ALDH1A1HTTMAPTPOLBSIRT2
SCHEMBL15845403 0.74 PGR (0.38) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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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