SCHEMBL10517590

SCHEMBL10517590

CN(C)Cc1ccnc(OCCC(=O)NCc2ccc(-c3csc(N)n3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ KDM4B O94953 2/20 0.32
▸ KDM5C P41229 2/20 0.32
▸ KDM5B Q9UGL1 2/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ KDM3A Q9Y4C1 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ LSS P48449 1/20 0.32
▸ LOX P28300 2/20 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
SCHEMBL10519036 0.91 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10521092 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10520147 0.80 LSS (0.41) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10518366 0.79 MAPT (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10520078 0.79 LSS (0.39) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10519514 0.76 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10519858 0.75 TSHR (0.43) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10868925 0.74 ALDH1A1 (0.36) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10520584 0.72 ALDH1A1 (0.72) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10619839 0.72 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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