SCHEMBL11759977

SCHEMBL11759977

O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)c1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 5/20 0.76
KMT2A Q03164 5/20 0.76
HSD17B10 Q99714 5/20 0.76
TDP1 Q9NUW8 5/20 0.76
TIMP3 P35625 5/20 0.76
ALDH1A1 P00352 3/20 0.76
MEN1 O00255 3/20 0.76
USP2 O75604 2/20 0.76
P2RY11 Q96G91 8/20 0.66
HPSE Q9Y251 5/20 0.66
MAPT P10636 4/20 0.66
PKM P14618 4/20 0.66
P2RX1 P51575 4/20 0.66
P2RX3 P56373 4/20 0.66
SIRT2 Q8IXJ6 3/20 0.66
SIRT1 Q96EB6 3/20 0.66
BRCA1 P38398 2/20 0.66
ENPP3 O14638 1/20 0.66
ENTPD3 O75355 1/20 0.66
NR1I2 O75469 1/20 0.66

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
SCHEMBL12903157 0.91 RECQL (0.73) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11341158 0.90 RECQL (0.68) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11335834 0.90 RECQL (0.71) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11761700 0.88 TIMP3 (0.68) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11342249 0.87 RECQL (0.68) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11343758 0.87 RECQL (0.68) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL3358966 0.86 RECQL (1.00) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL30392305 0.86 RECQL (1.00) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11350429 0.86 KMT2A (0.63) RECQLKMT2AHSD17B10TDP1TIMP3
SCHEMBL11346870 0.86 RECQL (0.66) RECQLKMT2AHSD17B10TDP1TIMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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