SCHEMBL9067783

SCHEMBL9067783

CC(=O)/C(=N\Nc1cccc([N+](=O)[O-])c1)Sc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALOX12 P18054 2/20 0.54
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 4/20 0.47
NPC1 O15118 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CNR1 P21554 1/20 0.46
P2RX1 P51575 1/20 0.45
HTT P42858 3/20 0.44
DDX3X O00571 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
IDH1 O75874 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL9067785 1.00 MAPT (0.54) MAPTALOX12ALDH1A1HPGDMEN1
SCHEMBL15047097 0.86 MAPT (0.49) MAPTALOX12ALDH1A1HPGDMEN1
SCHEMBL8859290 0.86 MAPT (0.49) MAPTALOX12ALDH1A1HPGDMEN1
SCHEMBL8588659 0.86 MAPT (0.49) MAPTALOX12ALDH1A1HPGDMEN1
SCHEMBL9068425 0.85 MAPT (0.61) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9068423 0.85 MAPT (0.61) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9068037 0.82 MAPT (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9068034 0.82 MAPT (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9068185 0.81 LMNA (0.56) MAPTALOX12ALDH1A1HPGDMEN1
SCHEMBL9068191 0.81 LMNA (0.56) MAPTALOX12ALDH1A1HPGDMEN1

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
US-5506228-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO., INC. (US) 1996-04-09 US disclosed