SCHEMBL19494424

SCHEMBL19494424

NC(=O)c1cc([SH](=O)=O)sc1NC(=O)c1cc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ IKBKB O14920 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16387386 0.82 MAPT (0.40) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL16387387 0.80 CFTR (0.44) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL19494339 0.77 MAPT (0.38) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL16246501 0.76 CFTR (0.48) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL16387385 0.76 KDM4E (0.43) MAPTALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16338488 0.76 MAPK8 (0.56) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16338677 0.75 CFTR (0.52) MAPTALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL19494498 0.74 CFTR (0.40) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL19494512 0.74 IKBKB (0.41) MAPTALDH1A1ALOX15HSD17B10USP2
SCHEMBL19494909 0.74 MAPT (0.37) MAPTALDH1A1ALOX15HSD17B10USP2

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-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
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