SCHEMBL15845440

SCHEMBL15845440

O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1ccn2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ GSK3A P49840 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL15568528 0.83 TDP1 (0.46) ALDH1A1TDP1FGFR1MAPTMEN1
SCHEMBL15845453 0.81 ALDH1A1 (0.47) HSD11B1ALDH1A1TDP1L3MBTL1FGFR1
SCHEMBL15845487 0.81 ALDH1A1 (0.42) HSD11B1ALDH1A1TDP1FGFR1MAPT
SCHEMBL15845478 0.81 RECQL (0.46) ALDH1A1TDP1MAPTLMNA
SCHEMBL15845592 0.80 HSD11B1 (0.41) HSD11B1ALDH1A1TDP1GSK3BFGFR1
SCHEMBL15845441 0.78 HSD11B1 (0.44) HSD11B1ALDH1A1TDP1L3MBTL1FGFR1
SCHEMBL15845502 0.78 HSD11B1 (0.44) HSD11B1ALDH1A1TDP1L3MBTL1FGFR1
SCHEMBL15845446 0.76 ALDH1A1 (0.42) HSD11B1ALDH1A1TDP1L3MBTL1FGFR1
SCHEMBL15845480 0.76 ALDH1A1 (0.42) HSD11B1ALDH1A1TDP1L3MBTL1FGFR1
SCHEMBL15114213 0.73 ALDH1A1 (0.47) ALDH1A1TDP1FGFR1MAPTMEN1

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-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
WO-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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