SCHEMBL12168516

SCHEMBL12168516

CC(C)=Nc1ccc(S)cc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.38
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIN2D O15399 2/20 0.32
▸ GRIN3B O60391 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2A Q12879 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN2C Q14957 2/20 0.32
▸ GRIN3A Q8TCU5 2/20 0.32

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
SCHEMBL15291795 0.78 NPC1 (0.52) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL19526433 0.77 SIGMAR1 (0.43) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL15726519 0.75 NPC1 (0.42) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL19526398 0.75 SIGMAR1 (0.57) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL16508364 0.75 SIGMAR1 (0.62) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL21131881 0.72 PTGS1 (0.47) SIGMAR1MEN1KMT2ASMN1; SMN2GRIN2D
SCHEMBL13947458 0.71 NPC1 (0.36) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL16508325 0.71 NOS1 (0.44) SIGMAR1SMN1; SMN2
SCHEMBL20388026 0.71 SIGMAR1 (0.35) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL15500280 0.71 TSHR (0.46) RAB9AMEN1MAPTKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981846-B1 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2017-11-01 — — EP disclosed
EP-1473334-B1 JET PRINTING INK AND METHOD OF INK JET PRINTING FUJIFILM CORP (JP) 2011-11-09 — — EP disclosed
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