SCHEMBL10868925

SCHEMBL10868925

CN(C)Cc1ccnc(OCC(=O)C(N)c2ccc(-c3csc(N)n3)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4B O94953 2/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ ATP4A P20648 2/20 0.32
▸ ATP4B P51164 2/20 0.32
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL10871169 0.87 KDM4B (0.34) ALDH1A1MAPTHSD17B10NPC1GFER
SCHEMBL10869929 0.87 ATP4A (0.35) ALDH1A1MAPTHSD17B10NPC1GFER
SCHEMBL10519036 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10NPC1GFER
SCHEMBL10520147 0.76 LSS (0.41) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL10517590 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10NPC1GFER
SCHEMBL10868918 0.73 NOS1 (0.41) MAPTMEN1KMT2AATP4AATP4B
SCHEMBL10520078 0.72 LSS (0.39) ALDH1A1MAPTHSD17B10NPC1KDM4E
SCHEMBL10521092 0.71 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL10518366 0.65 MAPT (0.53) ALDH1A1MAPTHSD17B10NPC1KDM4E
SCHEMBL10520739 0.63 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10NPC1GFER

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-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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