SCHEMBL11593396

SCHEMBL11593396

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.63
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
RECQL P46063 4/20 0.61
HSD17B10 Q99714 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
ALDH1A1 P00352 3/20 0.61
USP2 O75604 2/20 0.61
HPSE Q9Y251 4/20 0.53
MAPT P10636 3/20 0.53
PKM P14618 3/20 0.53
P2RX1 P51575 3/20 0.53
P2RX3 P56373 3/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
SIRT1 Q96EB6 2/20 0.53
P2RY11 Q96G91 2/20 0.53
ENPP3 O14638 1/20 0.53
ENTPD3 O75355 1/20 0.53
NR1I2 O75469 1/20 0.53
PRKD3 O94806 1/20 0.53

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
SCHEMBL11425899 0.93 TIMP3 (0.56) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL11407259 0.92 TIMP3 (0.55) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL11438233 0.92 TIMP3 (0.60) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL11407455 0.91 TIMP3 (0.67) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL7613478 0.90 KMT2A (0.69) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL30388456 0.90 KMT2A (0.69) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL3297268 0.88 TIMP3 (0.66) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL11418806 0.88 TIMP3 (0.63) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL11432585 0.88 TIMP3 (0.49) TIMP3KMT2AMEN1RECQLHSD17B10
SCHEMBL30388503 0.86 KMT2A (0.75) TIMP3KMT2AMEN1RECQLHSD17B10

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