SCHEMBL5972244

SCHEMBL5972244

O=C(O)C1C(=O)C(O)=NN1c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL5360577 0.71 PDE5A (0.38) PDE5ALMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL150334 0.61 LMNA (0.77) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL18181415 0.61 GAA (0.52) LMNATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31429963 0.60 CA1 (0.77) PDE5ALMNAALDH1A1HPGDKDM4E
SCHEMBL5014792 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL545629 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL20421629 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL28935010 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL1538013 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL28934870 0.59 LMNA (0.72) LMNATSHRSMN1; SMN2ALDH1A1HPGD

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
EP-1633818-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GmbH (DE) 2006-03-15 — — EP disclosed
WO-2004092283-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GMBH (DE) 2004-10-28 — — WO disclosed
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