SCHEMBL11444111

SCHEMBL11444111

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 4/20 0.45
KCNMA1 Q12791 4/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CD40 P25942 2/20 0.43
CD40LG P29965 2/20 0.43
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 2/20 0.41
PKM P14618 2/20 0.41
KDR P35968 2/20 0.41
AURKA O14965 1/20 0.41
NPC1 O15118 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL11444114 0.99 TIMP3 (0.46) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11432549 0.91 TIMP3 (0.55) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11429449 0.91 TIMP3 (0.55) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11444026 0.90 TIMP3 (0.46) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11587244 0.90 TIMP3 (0.46) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11444025 0.88 KMT2A (0.46) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11437640 0.88 CD40 (0.50) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL10413972 0.87 TIMP3 (0.58) TIMP3KMT2AMEN1TDP1ALDH1A1
SCHEMBL11437646 0.86 CD40 (0.51) TIMP3KCNMA1KMT2AMEN1TDP1
SCHEMBL11420299 0.86 TIMP3 (0.58) TIMP3KMT2AMEN1TDP1ALDH1A1

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-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 US disclosed