SCHEMBL15845446

SCHEMBL15845446

O=[N+]([O-])c1ccccc1-c1ccc(Cl)c2c1ccn2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ GUSB P08236 1/20 0.37
▸ EIF4E P06730 4/20 0.36
▸ VCAM1 P19320 3/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ C1R P00736 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL15845480 0.90 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1GUSB
SCHEMBL15845598 0.80 VCAM1 (0.42) ALDH1A1TDP1HSD11B1GUSBVCAM1
SCHEMBL15845501 0.80 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1GUSB
SCHEMBL15845487 0.80 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1GUSB
SCHEMBL15568528 0.79 TDP1 (0.46) ALDH1A1TDP1FGFR1GUSBMEN1
SCHEMBL15796880 0.77 FGFR1 (0.44) ALDH1A1TDP1FGFR1GUSBMEN1
SCHEMBL15845440 0.76 HSD11B1 (0.41) ALDH1A1TDP1HSD11B1FGFR1EIF4E
SCHEMBL15845592 0.76 HSD11B1 (0.41) ALDH1A1TDP1HSD11B1FGFR1EIF4E
SCHEMBL15596393 0.76 FGFR1 (0.48) ALDH1A1TDP1FGFR1GUSBMEN1
SCHEMBL18810941 0.76 ALDH1A1 (0.52) ALDH1A1TDP1HSD11B1GUSBMEN1

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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