SCHEMBL9564530

SCHEMBL9564530

COc1nc2cc([N+](=O)[O-])ccc2cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41

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
SCHEMBL7103967 0.80 TDP1 (0.51) TDP1HTTALDH1A1NPC1RAB9A
SCHEMBL3363432 0.75 NPC1 (0.50) TDP1HTTALDH1A1NPC1RAB9A
SCHEMBL7354309 0.73 CYP1A2 (0.46) TDP1HTTALDH1A1NPC1RAB9A
SCHEMBL7347904 0.73 GUCY1B2 (0.51) TDP1HTTALDH1A1CYP3A4NPC1
SCHEMBL7051529 0.73 TDP1 (0.50) TDP1ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL3462835 0.73 TDP1 (1.00) TDP1HTTALDH1A1CYP3A4MEN1
SCHEMBL269845 0.73 TDP1 (1.00) TDP1HTTALDH1A1CYP3A4MEN1
Hydrochloric Acid SCHEMBL21772081 0.71 TDP1 (0.96) TDP1HTTALDH1A1CYP3A4MEN1
Ammonia Solution, Strong SCHEMBL10880861 0.71 TDP1 (0.96) TDP1HTTALDH1A1CYP3A4MEN1
SCHEMBL222283 0.71 HTT (1.00) TDP1HTTALDH1A1CYP3A4KMT2A

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
EP-0542609-A1 3-sulfonylamino-2-(1H)-quinolinones and 7-aza derivatives as excitatory amino acids antagonists ADIR ET COMPAGNIE (FR) 1993-05-19 EP disclosed