SCHEMBL8583186

SCHEMBL8583186

O=c1c2ccncc2sc2c([N+](=O)[O-])ccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
CHUK O15111 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 10/20 0.36
HTT P42858 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
APP P05067 3/20 0.35
POLB P06746 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10810664 0.82 CYP19A1 (0.49) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL10901545 0.75 APP (0.41) CYP19A1MAPTTDP1APP
SCHEMBL8133457 0.75 ALDH1A1 (0.52) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL10814556 0.75 MAPT (0.50) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL619318 0.73 MAPT (0.52) CHUKMEN1KMT2AALDH1A1MAPT
SCHEMBL10811090 0.72 MAPT (0.60) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6973083 0.70 MAPT (0.56) CHUKMEN1KMT2AALDH1A1MAPT
Iodide SCHEMBL11813329 0.69 MAPT (0.55) CHUKMEN1KMT2AALDH1A1MAPT
SCHEMBL10809694 0.68 ALDH1A1 (0.41) KMT2AALDH1A1MAPTTDP1APP
SCHEMBL10812979 0.68 TDP1 (0.41) MEN1KMT2AALDH1A1MAPTTDP1

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-5935969-A Pyrido-thiopyrandoinazoles with antitumor activity UNIVERSITY OF VERMONT (US) 1999-08-10 US disclosed