SCHEMBL13886791

SCHEMBL13886791

CCCCc1ccc2sc(N)c(C(=O)OCC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ HPGD P15428 6/20 0.49
▸ GAA P10253 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALOX15 P16050 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FHIT P49789 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GRM6 O15303 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SKP2 Q13309 1/20 0.40

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
SCHEMBL13869918 0.88 FHIT (0.41) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL13848533 0.81 MAPT (0.49) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL3990334 0.80 MAPT (0.51) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL19140015 0.79 ALDH1A1 (0.48) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL2307828 0.76 MAPT (0.60) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL6996573 0.74 MAPT (0.57) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL24683238 0.73 MAPT (0.57) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL21267971 0.72 ALDH1A1 (0.54) ALDH1A1HPGDGAATSHRMAPK1
SCHEMBL28281267 0.72 SKP2 (0.55) MAPTALDH1A1HPGDGAAALOX15
SCHEMBL3984848 0.72 MAPT (0.67) MAPTALDH1A1HPGDGAASMN1; SMN2

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
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
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