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SCHEMBL11510973

SCHEMBL11510973

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NS(=O)(=O)c1cc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)ccc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY11 Q96G91 7/20 0.76
▸ HPSE Q9Y251 5/20 0.76
▸ RECQL P46063 5/20 0.76
▸ KMT2A Q03164 5/20 0.76
▸ HSD17B10 Q99714 5/20 0.76
▸ TDP1 Q9NUW8 5/20 0.76
▸ TIMP3 P35625 4/20 0.76
▸ MAPT P10636 4/20 0.76
▸ PKM P14618 4/20 0.76
▸ P2RX1 P51575 4/20 0.76
▸ P2RX3 P56373 4/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ USP2 O75604 2/20 0.76
▸ BRCA1 P38398 2/20 0.76
▸ SIRT2 Q8IXJ6 2/20 0.76
▸ SIRT1 Q96EB6 2/20 0.76
▸ ENPP3 O14638 1/20 0.76
▸ ENTPD3 O75355 1/20 0.76
▸ NR1I2 O75469 1/20 0.76
▸ PRKD3 O94806 1/20 0.76

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
SCHEMBL11467218 0.89 P2RY11 (0.70) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL16255254 0.89 P2RY11 (0.84) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11466326 0.88 MEN1 (0.64) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11426198 0.88 P2RY11 (0.80) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11417633 0.88 TIMP3 (0.59) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11476211 0.87 P2RY11 (0.73) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11510571 0.87 P2RY11 (0.83) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL30312075 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL29371906 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL30552218 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10

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-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 — — US claimed
US-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 — — US disclosed
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