SCHEMBL11593603

SCHEMBL11593603

Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.68
RECQL P46063 7/20 0.65
KMT2A Q03164 7/20 0.65
HSD17B10 Q99714 7/20 0.65
TDP1 Q9NUW8 7/20 0.65
MEN1 O00255 5/20 0.65
ALDH1A1 P00352 3/20 0.65
USP2 O75604 2/20 0.65
SIRT2 Q8IXJ6 4/20 0.58
SIRT1 Q96EB6 4/20 0.58
MAPT P10636 6/20 0.57
PKM P14618 6/20 0.57
P2RX1 P51575 5/20 0.57
HPSE Q9Y251 4/20 0.57
BRCA1 P38398 4/20 0.57
P2RX3 P56373 3/20 0.57
CYP1A2 P05177 3/20 0.57
P2RY11 Q96G91 2/20 0.57
ENPP3 O14638 1/20 0.57
ENTPD3 O75355 1/20 0.57

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
SCHEMBL11426622 0.92 TIMP3 (0.60) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11425989 0.92 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11430062 0.92 TIMP3 (0.59) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11406508 0.91 P2RY11 (0.72) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11425858 0.90 TIMP3 (0.62) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3300014 0.90 HSD17B10 (0.74) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11466093 0.87 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14557795 0.87 TIMP3 (0.71) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11467071 0.86 TIMP3 (0.61) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL375680 0.85 TIMP3 (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4129591-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 US disclosed
US-4108890-A Nitro or amino phenylenebis(carbonylimino)dinaphthalenetrisulfonic compounds as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-08-22 US disclosed
US-4051176-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-09-27 US disclosed