SCHEMBL15801580

SCHEMBL15801580

O=[N+]([O-])c1ccccc1-c1ccc2ccc3c(ccn3-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FGFR1 P11362 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GUSB P08236 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ C1R P00736 1/20 0.35
▸ EIF4E P06730 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ F2RL3 Q96RI0 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
SCHEMBL15801524 0.92 ALDH1A1 (0.44) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15596380 0.85 ALDH1A1 (0.50) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15477945 0.85 ALDH1A1 (0.50) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15845379 0.83 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15845387 0.81 ALDH1A1 (0.41) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15801770 0.81 ALDH1A1 (0.46) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15801671 0.81 ALDH1A1 (0.46) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15618106 0.81 ALDH1A1 (0.51) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL15481496 0.81 ALDH1A1 (0.51) ALDH1A1TDP1FGFR1ADORA1MAPT
SCHEMBL17177972 0.80 ALDH1A1 (0.47) ALDH1A1TDP1FGFR1ADORA1MAPT

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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