SCHEMBL10868918

SCHEMBL10868918

CN(C)Cc1cccc(OCC(=O)C(N)c2csc(-c3csc(N)n3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ LTA4H P09960 1/20 0.38
▸ ATP4A P20648 2/20 0.37
▸ ATP4B P51164 2/20 0.37
▸ ROCK1 Q13464 5/20 0.36
▸ ROCK2 O75116 4/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LSS P48449 1/20 0.33

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 0.85 KDM4B (0.34) ATP4AATP4BMEN1KMT2AMAPT
SCHEMBL10521863 0.80 LSS (0.50) NOS1NOS2LTA4HROCK1ROCK2
SCHEMBL10518366 0.76 MAPT (0.53) NOS1NOS2LTA4HROCK1ROCK2
SCHEMBL10519858 0.75 TSHR (0.43) NOS1NOS2LTA4HROCK1ROCK2
SCHEMBL10868925 0.73 ALDH1A1 (0.36) ATP4AATP4BMEN1KMT2AMAPT
SCHEMBL10521093 0.72 LSS (0.47) NOS1NOS2LTA4HATP4AATP4B
SCHEMBL10869929 0.69 ATP4A (0.35) LTA4HATP4AATP4BROCK1ROCK2
SCHEMBL12495744 0.67 ATP4A (0.67) LTA4HATP4AATP4BCYP3A4MEN1
SCHEMBL11197263 0.67 NPC1 (0.48) NOS1NOS2PPARACA12CA1
SCHEMBL10520147 0.66 LSS (0.41) ATP4AATP4BROCK1ROCK2CYP3A4

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
Send feedback