SCHEMBL8311656

SCHEMBL8311656

COc1ccc(CSC2CCN(N=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
CRBN Q96SW2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9414489 0.82 SIGMAR1 (0.46) APPSIGMAR1HRH3ALDH1A1RAB9A
SCHEMBL8308762 0.81 IDO1 (0.44) HSD17B10APPSIGMAR1HRH3IDO1
SCHEMBL12992270 0.78 SIGMAR1 (0.45) APPSIGMAR1HRH3
SCHEMBL9414462 0.78 SIGMAR1 (0.45) APPSIGMAR1HRH3
SCHEMBL24220107 0.77 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL7833142 0.77 KMT2A (0.55) SMN1; SMN2APPALDH1A1IDO1NPC1
SCHEMBL8307284 0.75 TDP1 (0.50) SMN1; SMN2APPCRBNSIGMAR1ALDH1A1
SCHEMBL8310493 0.74 MAOB (0.39) APPSIGMAR1HRH3ALDH1A1IDO1
SCHEMBL8063627 0.72 KMT2A (0.61) SMN1; SMN2HRH3ALDH1A1NPC1RAB9A
SCHEMBL9479861 0.72 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1

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-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed