SCHEMBL16856147

SCHEMBL16856147

O=[N+]([O-])c1ccccc1-c1cccc2c1ccc1sc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ S100A4 P26447 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ C1R P00736 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ DUSP3 P51452 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
SCHEMBL16218709 0.90 TDP1 (0.47) TDP1ALDH1A1MGAMGAASI
SCHEMBL16231228 0.87 ALDH1A1 (0.44) TDP1ALDH1A1MGAMGAASI
SCHEMBL18688163 0.84 MAOB (0.40) TDP1ALDH1A1MGAMGAASI
SCHEMBL31478092 0.83 TDP1 (0.53) TDP1ALDH1A1LMNASLC9A1KMT2A
SCHEMBL3293386 0.83 TDP1 (0.53) TDP1ALDH1A1LMNASLC9A1KMT2A
SCHEMBL18553430 0.82 ALDH1A1 (0.43) TDP1ALDH1A1MGAMGAASI
SCHEMBL22223633 0.81 TDP1 (0.55) TDP1ALDH1A1S100A4PTPRCLMNA
SCHEMBL19961730 0.81 ALDH1A1 (0.42) TDP1ALDH1A1MGAMGAASI
SCHEMBL16919393 0.80 KMT2A (0.43) TDP1ALDH1A1S100A4PTPRCKMT2A
SCHEMBL15055546 0.79 TDP1 (0.67) TDP1ALDH1A1MGAMGAASI

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-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 — — WO disclosed
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