SCHEMBL11765219

SCHEMBL11765219

O=C(Nc1cccc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)c1)Nc1cccc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)c1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.62
RECQL P46063 5/20 0.62
KMT2A Q03164 5/20 0.62
HSD17B10 Q99714 5/20 0.62
TDP1 Q9NUW8 5/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
USP2 O75604 2/20 0.62
HPSE Q9Y251 10/20 0.59
MAPT P10636 4/20 0.59
PKM P14618 4/20 0.59
P2RX1 P51575 3/20 0.59
P2RX3 P56373 3/20 0.59
BRCA1 P38398 2/20 0.59
SIRT2 Q8IXJ6 2/20 0.59
SIRT1 Q96EB6 2/20 0.59
P2RY11 Q96G91 2/20 0.59
ENPP3 O14638 1/20 0.59
ENTPD3 O75355 1/20 0.59
NR1I2 O75469 1/20 0.59

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
SCHEMBL20514945 0.88 HPSE (0.77) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL20514936 0.88 HPSE (0.77) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL20514953 0.88 HPSE (0.77) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11335520 0.87 TIMP3 (0.63) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11339146 0.87 RECQL (0.54) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL20514967 0.87 HPSE (0.78) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11759977 0.85 RECQL (0.76) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL20514922 0.85 HPSE (0.78) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11761572 0.83 HSD17B10 (0.51) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL31722454 0.83 KMT2A (0.54) TIMP3RECQLKMT2AHSD17B10TDP1

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