SCHEMBL11190972

SCHEMBL11190972

Nc1ccc2c(S(=O)(=O)O)ccc(O)c2c1N=Nc1ccc(NC(=O)Nc2ccc(N=Nc3c(N)ccc4c(S(=O)(=O)O)ccc(O)c34)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.59
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PRMT1 Q99873 2/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ APEX1 P27695 1/20 0.38
▸ TIMP3 P35625 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TNNI3 P19429 1/20 0.37
▸ TNNT2 P45379 1/20 0.37
▸ TNNC1 P63316 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL11190957 1.00 ENPP2 (0.59) ENPP2CD40CD40LGAURKAAURKB
SCHEMBL11594349 0.82 ENPP2 (0.85) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL30716918 0.82 ENPP2 (0.85) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL29637807 0.82 ENPP2 (0.85) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL10891071 0.82 ENPP2 (0.85) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL10891093 0.82 ENPP2 (0.85) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL11848060 0.81 APEX1 (0.48) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL11594336 0.81 ENPP2 (0.84) ENPP2CD40CD40LGPRMT1APEX1
SCHEMBL11764265 0.81 ENPP2 (0.72) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL11847968 0.76 APEX1 (0.49) ENPP2AURKAAURKBAPEX1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013470-B1 RUTIN POLY(H-) SULFATES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-05-25 — — EP disclosed
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