SCHEMBL19494339

SCHEMBL19494339

CN(C)Sc1cc(C(N)=O)c(NC(=O)c2cc[nH]n2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ GFER P55789 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CFTR P13569 1/20 0.35
▸ CHEK1 O14757 4/20 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
SCHEMBL19494909 0.90 MAPT (0.37) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494883 0.85 CFTR (0.45) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494715 0.84 CFTR (0.38) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494641 0.81 CFTR (0.37) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494538 0.81 MAPK8 (0.38) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494512 0.80 IKBKB (0.41) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL19494498 0.80 CFTR (0.40) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL16246501 0.79 CFTR (0.48) MAPTALDH1A1USP2ALOX15HSD17B10
SCHEMBL16387385 0.79 KDM4E (0.43) MAPTALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16387386 0.79 MAPT (0.40) MAPTALDH1A1USP2ALOX15HSD17B10

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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