SCHEMBL11761453

SCHEMBL11761453

O=C(Nc1cccc(C(=O)Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)c1)Nc1cccc(C(=O)Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)c1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 6/20 0.63
▸ RECQL P46063 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ TDP1 Q9NUW8 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ USP2 O75604 2/20 0.63
▸ HPSE Q9Y251 5/20 0.56
▸ PRMT1 Q99873 2/20 0.56
▸ MAPT P10636 3/20 0.55
▸ PKM P14618 3/20 0.55
▸ P2RX1 P51575 3/20 0.55
▸ P2RX3 P56373 3/20 0.55
▸ ENPP3 O14638 1/20 0.55
▸ ENTPD3 O75355 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ TDP2 O95551 1/20 0.55
▸ CBX7 O95931 1/20 0.55

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
SCHEMBL14601341 0.99 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14107312 0.99 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11761517 0.99 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11760343 0.93 TIMP3 (0.63) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14601340 0.92 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11760372 0.92 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14640095 0.90 NT5E (0.55) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11598268 0.89 TIMP3 (0.65) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12215086 0.88 ENPP2 (0.55) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14081269 0.87 TIMP3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 — — US claimed
US-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 — — US disclosed
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