SCHEMBL11129686

SCHEMBL11129686

c1ccc2c(c1)CCC(NNC1CCc3ccccc3S1)S2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
GRIN2B Q13224 11/20 0.38
PDPK1 O15530 1/20 0.36
PLAU P00749 1/20 0.35
CYP11B2 P19099 1/20 0.34
GRIN1 Q05586 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 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
SCHEMBL7509142 0.85 PDPK1 (0.46) SIGMAR1PDPK1PLAU
SCHEMBL44650 0.76 SIGMAR1 (0.44) SIGMAR1GRIN2BPLAUCYP11B2KDM1A
SCHEMBL6721448 0.75 SIGMAR1 (0.43) SIGMAR1PDPK1PLAUIDO1
SCHEMBL6676676 0.73 PLAU (0.45) SIGMAR1PDPK1PLAUIDO1
SCHEMBL15547683 0.73 SIGMAR1 (0.42) SIGMAR1GRIN2BPDPK1PLAUCYP11B2
SCHEMBL10780065 0.73 SIGMAR1 (0.42) SIGMAR1PDPK1PLAUIDO1
SCHEMBL5255259 0.73 PLAU (0.45) SIGMAR1PDPK1PLAUIDO1
SCHEMBL30724832 0.73 SIGMAR1 (0.42) SIGMAR1PDPK1PLAUIDO1
SCHEMBL28525701 0.72 SIGMAR1 (0.41) SIGMAR1GRIN2BPDPK1PLAUCYP11B2
SCHEMBL30160953 0.72 SIGMAR1 (0.41) SIGMAR1GRIN2BPDPK1PLAUIDO1

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-58177987-A None JP disclosed
JP-S58177987-A IMPROVEMENT IN THIOCHROMAN PRODUCTION HOKKO CHEM IND CO LTD 1983-10-18 JP disclosed