SCHEMBL28310259

SCHEMBL28310259

Brc1cccc(Cc2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 4/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
OPRK1 P41145 1/20 0.43
ADK P55263 1/20 0.42
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PYCR1 P32322 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL13416020 0.85 LMNA (0.47) NPC1LMNATAAR1PTGS1PTGS2
SCHEMBL3238290 0.79 LMNA (0.62) LMNATAAR1OPRK1PTGS1PTGS2
SCHEMBL27959690 0.78 NPC1 (0.56) NPC1LMNATAAR1IDO1AGXT
SCHEMBL6560649 0.78 ABL1 (0.49) NPC1TAAR1IDO1KDM4EPKM
SCHEMBL28571991 0.78 MAPK1 (0.56) LMNATAAR1IDO1AGXTKDM4E
SCHEMBL27071197 0.78 MAOA (0.46) TAAR1MAOBKDM4EPKMPTGS1
SCHEMBL9200966 0.77 TAAR1 (0.60) TAAR1IDO1AGXTMAOBPYCR1
SCHEMBL45228 0.76 LMNA (0.50) NPC1LMNATAAR1KDM4EPTGS1
Ammonia Solution, Strong SCHEMBL27757668 0.74 LMNA (0.49) NPC1LMNATAAR1KDM4EPTGS1
SCHEMBL9825918 0.74 LMNA (0.49) NPC1LMNATAAR1KDM4EPTGS1

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
CN-108727902-A Inorganic nano material prints ink and preparation method thereof TCL集团股份有限公司 2018-11-02 CN claimed
CN-110325510-A High stability lubricating oil base stock and method for making same 埃克森美孚化学专利公司 2019-10-11 CN disclosed
CN-109966276-A Indane class compound is preventing and/or is treating the application in the drug with monoamine oxidase A related disease 合肥工业大学 2019-07-05 CN disclosed