SCHEMBL9433695

SCHEMBL9433695

C=CCN1c2ccccc2SC1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.43
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ PRCP P42785 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GAA P10253 2/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ TSHR P16473 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
SCHEMBL16709169 0.82 MAOA (0.38) GSK3BKMT2AMEN1POLBMAOA
SCHEMBL16709179 0.82 MAOA (0.42) GSK3BKMT2AMEN1POLBOPRM1
SCHEMBL8743157 0.81 GSK3B (0.40) GSK3BKMT2AMEN1POLB
SCHEMBL29222316 0.81 GSK3B (0.37) GSK3BKMT2AMEN1POLBGAA
SCHEMBL1046284 0.80 SMN1; SMN2 (0.38) GSK3BKMT2AMEN1POLBMAOA
SCHEMBL30702419 0.80 SMN1; SMN2 (0.38) GSK3BKMT2AMEN1POLBMAOA
SCHEMBL7569713 0.79 MAPT (0.33) GSK3BPOLB
Iodide SCHEMBL8924984 0.79 SMN1; SMN2 (0.37) GSK3BKMT2AMEN1POLBMAOA
Iodide SCHEMBL8007272 0.78 MAPT (0.32) POLB
SCHEMBL28691443 0.78 GSK3B (0.37) GSK3BKMT2AMEN1POLBGAA

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
JP-6263758-A — — None — — JP disclosed
JP-H06263758-A BISSQUARYLIUM-BASED COMPOUND MITSUBISHI KASEI CORP 1994-09-20 — — JP disclosed
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