SCHEMBL10909042

SCHEMBL10909042

O=C(Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1)C(=O)Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.62
KMT2A Q03164 5/20 0.53
RECQL P46063 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
TIMP3 P35625 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
HPSE Q9Y251 4/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 3/20 0.47
P2RX1 P51575 3/20 0.47
P2RX3 P56373 3/20 0.47
PRMT1 Q99873 2/20 0.47
ENPP3 O14638 1/20 0.47
ENTPD3 O75355 1/20 0.47
NR1I2 O75469 1/20 0.47
PRKD3 O94806 1/20 0.47
TDP2 O95551 1/20 0.47

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
SCHEMBL11344916 0.93 APEX1 (0.62) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL10907842 0.91 APEX1 (0.62) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL10908350 0.90 APEX1 (0.63) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL13619183 0.87 APEX1 (0.81) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL10904451 0.86 APEX1 (0.79) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL11440872 0.85 APEX1 (0.63) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL11590673 0.85 APEX1 (0.74) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL11689238 0.85 APEX1 (0.74) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL11590648 0.84 APEX1 (0.72) APEX1KMT2ARECQLHSD17B10TDP1
SCHEMBL14107314 0.84 APEX1 (0.72) APEX1KMT2ARECQLHSD17B10TDP1

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 US disclosed