SCHEMBL11438340

SCHEMBL11438340

O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 6/20 0.54
▸ RECQL P46063 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ PRMT1 Q99873 3/20 0.47
▸ HPSE Q9Y251 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 3/20 0.46
▸ P2RX1 P51575 3/20 0.46
▸ P2RX3 P56373 3/20 0.46
▸ SIRT1 Q96EB6 2/20 0.46
▸ ENPP3 O14638 1/20 0.46
▸ ENTPD3 O75355 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ TDP2 O95551 1/20 0.46

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
SCHEMBL11444022 0.85 TIMP3 (0.62) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11435939 0.85 TIMP3 (0.74) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11438005 0.85 RAPGEF4 (0.42) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11487866 0.84 TIMP3 (0.76) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11442016 0.84 PRMT1 (0.60) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11437999 0.84 RAPGEF4 (0.41) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11438960 0.84 PRMT1 (0.53) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL10897127 0.84 TIMP3 (0.51) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11437646 0.82 CD40 (0.51) TIMP3KMT2ATDP1ALDH1A1MEN1
SCHEMBL11437640 0.81 CD40 (0.50) TIMP3KMT2ATDP1ALDH1A1MEN1

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
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