SCHEMBL18133035

SCHEMBL18133035

Bc1cc(O)cc(C(=O)Nc2nc(C(F)F)ns2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TOP1 P11387 1/20 0.31
▸ MPL P40238 1/20 0.31

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
SCHEMBL13056079 0.85 LMNA (0.42) ADORA3HSD17B1LMNANPC1NQO2
SCHEMBL13075281 0.78 GRM5 (0.39) HSD17B1NPC1MAPTSMN1; SMN2
SCHEMBL13056071 0.69 KCNMA1 (0.54) —
SCHEMBL13055747 0.62 NPC1 (0.45) HSD17B1LMNANPC1MAPTSMN1; SMN2
SCHEMBL13056184 0.61 MEN1 (0.35) HSD17B1LMNANPC1NQO2RXFP1
SCHEMBL1427131 0.61 GCK (0.63) MAPTSMN1; SMN2TP53
SCHEMBL2661529 0.61 GCK (0.63) MAPTSMN1; SMN2TP53
SCHEMBL13055688 0.60 CCNE1 (0.45) HSD17B1LMNANPC1MAPTSMN1; SMN2
SCHEMBL13056131 0.60 NQO2 (0.33) HSD17B1LMNANQO2MAPTSMN1; SMN2
SCHEMBL28224396 0.59 CA12 (0.68) LMNAMAPTSMN1; SMN2TP53

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-3078377-A2 NITAZOXANIDE AND TIZOXANIDE AS ANTI-VIRAL AGENTS Romark Laboratories, L.C. (US) 2016-10-12 — — EP disclosed
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