SCHEMBL15775583

SCHEMBL15775583

O=C1N=C(c2ccccc2)Cc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
RECQL P46063 1/20 0.43
MCL1 Q07820 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 5/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KLK3 P07288 1/20 0.38
LMNA P02545 1/20 0.37
ACHE P22303 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
SCHEMBL15775768 0.88 KMT2A (0.40) TDP1ALDH1A1KMT2AMAPTRECQL
SCHEMBL15775915 0.88 MAPT (0.40) TDP1ALDH1A1KMT2AMAPTRECQL
SCHEMBL15775327 0.85 KMT2A (0.38) TDP1ALDH1A1KMT2AMAPTRECQL
SCHEMBL15775318 0.85 HTR7 (0.42) TDP1ALDH1A1KMT2AMAPTRECQL
SCHEMBL15775665 0.77 ALDH1A1 (0.40) ALDH1A1MAPTGAAPTPRCSMN1; SMN2
SCHEMBL15775298 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL15775397 0.77 ACHE (0.40) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL15775233 0.75 MAPT (0.43) TDP1ALDH1A1KMT2AMAPTRECQL
SCHEMBL15775467 0.74 ALDH1A1 (0.36) ALDH1A1MAPTRXFP1SMN1; SMN2NPC1
SCHEMBL15775346 0.73 ACHE (0.43) ALDH1A1MAPTGAASMN1; SMN2NPC1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed