SCHEMBL11760843

SCHEMBL11760843

O=C(Nc1ccc(C(=O)Nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c3ccccc23)cc1)Nc1ccc(C(=O)Nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c3ccccc23)cc1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 4/20 0.49
SIRT1 Q96EB6 2/20 0.47
CD40 P25942 1/20 0.46
CD40LG P29965 1/20 0.46
FGF1 P05230 1/20 0.44
HPSE Q9Y251 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.41
PRMT1 Q99873 1/20 0.40
FLT3 P36888 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL11760881 0.97 TIMP3 (0.52) TIMP3SIRT1CD40CD40LGFGF1
SCHEMBL11347286 0.90 TIMP3 (0.49) TIMP3SIRT1CD40CD40LGFGF1
SCHEMBL11339195 0.89 TIMP3 (0.48) TIMP3SIRT1CD40CD40LGFGF1
SCHEMBL11766235 0.88 KMT2A (0.54) TIMP3SIRT1HPSEMEN1KMT2A
SCHEMBL11766279 0.85 KMT2A (0.56) TIMP3SIRT1HPSEMEN1KMT2A
SCHEMBL11338609 0.82 PRMT1 (0.49) TIMP3SIRT1CD40CD40LGFGF1
SCHEMBL10907712 0.82 MPL (0.46) TIMP3CD40CD40LGMEN1KMT2A
SCHEMBL10907905 0.81 MPL (0.48) TIMP3CD40CD40LGMEN1KMT2A
SCHEMBL11355263 0.81 TIMP3 (0.54) TIMP3SIRT1CD40CD40LGFGF1
SCHEMBL11341156 0.81 TIMP3 (0.48) TIMP3SIRT1CD40CD40LGFGF1

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