SCHEMBL15801770

SCHEMBL15801770

O=[N+]([O-])c1ccccc1-c1ccc2cc3ccn(-c4ccccc4)c3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FGFR1 P11362 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ PLA2G4A P47712 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ C1R P00736 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ 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
SCHEMBL15801671 1.00 ALDH1A1 (0.46) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15596380 0.90 ALDH1A1 (0.50) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15477945 0.90 ALDH1A1 (0.50) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15481496 0.85 ALDH1A1 (0.51) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15618106 0.85 ALDH1A1 (0.51) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL17177972 0.84 ALDH1A1 (0.47) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15618119 0.82 ALDH1A1 (0.48) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15618121 0.82 ALDH1A1 (0.48) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15801524 0.82 ALDH1A1 (0.44) ALDH1A1TDP1FGFR1ADORA1MEN1
SCHEMBL15845387 0.81 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1ADORA1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO disclosed
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