SCHEMBL16272368

SCHEMBL16272368

O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccccc3)cc2S(=O)(=O)O)c([SH](=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.62
▸ KCNJ6 P48051 1/20 0.44
▸ KCNJ5 P48544 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ IDH1 O75874 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL9321648 0.90 ENPP2 (0.74) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL14437899 0.90 ENPP2 (0.74) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL15282738 0.89 ENPP2 (0.72) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL26977995 0.89 ENPP2 (0.72) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL17255098 0.89 ENPP2 (0.72) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL16363758 0.85 ENPP2 (0.67) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL17562373 0.85 ENPP2 (0.67) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL15784114 0.83 KMT2A (0.48) ENPP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15210356 0.83 ENPP2 (0.64) ENPP2KCNJ6KCNJ5KCNJ3NPC1
SCHEMBL15800703 0.81 ENPP2 (0.42) ENPP2MAPTCA12CA1CA2

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-8940681-B2 Color protection detergent HENKEL AG & CO. KGAA (DE) 2015-01-27 — — US disclosed
US-20140352080-A1 COLOR PROTECTION DETERGENT HENKEL AG & CO. KGAA (DE) 2014-12-04 — — US disclosed
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