SCHEMBL9816756

SCHEMBL9816756

COc1c(Oc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 2/20 0.50
HSPB1 P04792 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
PIN1 Q13526 1/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
GALR3 O60755 1/20 0.41
USP2 O75604 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
SCHEMBL3721283 0.84 MAPT (0.57) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL9816760 0.83 HPGD (0.47) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL11497260 0.80 HPGD (0.62) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL31119224 0.80 TDP1 (0.71) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL31119225 0.80 TDP1 (0.71) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL2088309 0.80 TDP1 (0.71) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL7031805 0.79 ALDH1A1 (0.49) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL1341378 0.78 MEN1 (0.58) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL1341803 0.78 L3MBTL1 (0.76) HPGDL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL358770 0.78 TDP1 (0.61) L3MBTL1ALDH1A1TDP1KMT2AMEN1

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-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed