SCHEMBL11766279

SCHEMBL11766279

O=C(Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c3ccccc23)c1)Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c3ccccc23)c1.[Na].[Na].[Na].[Na]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
TIMP3 P35625 5/20 0.56
MEN1 O00255 5/20 0.56
RECQL P46063 4/20 0.56
HSD17B10 Q99714 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 2/20 0.56
HPSE Q9Y251 5/20 0.49
PKM P14618 4/20 0.49
MAPT P10636 3/20 0.49
P2RX1 P51575 3/20 0.49
P2RX3 P56373 3/20 0.49
SIRT1 Q96EB6 2/20 0.49
ENPP3 O14638 1/20 0.49
ENTPD3 O75355 1/20 0.49
NR1I2 O75469 1/20 0.49
PRKD3 O94806 1/20 0.49
TDP2 O95551 1/20 0.49
CBX7 O95931 1/20 0.49

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
SCHEMBL11766235 0.98 KMT2A (0.54) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11341082 0.89 KMT2A (0.53) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11339069 0.89 KMT2A (0.53) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11760881 0.88 TIMP3 (0.52) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11760843 0.85 TIMP3 (0.49) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11347519 0.83 KMT2A (0.52) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11342918 0.83 KMT2A (0.54) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11337777 0.83 TIMP3 (0.54) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL10908295 0.82 KMT2A (0.45) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11343207 0.82 KMT2A (0.58) KMT2ATIMP3MEN1RECQLHSD17B10

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-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed