SCHEMBL4584541

SCHEMBL4584541

c1csc(C2(c3cccs3)CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
MEN1 O00255 1/20 0.56
PRCP P42785 1/20 0.56
KMT2A Q03164 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
SLC6A3 Q01959 1/20 0.55
SLC6A4 P31645 1/20 0.51
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHRM3 P20309 2/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL517255 0.98 SLC6A2 (0.55) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL1256637 0.86 OPRM1 (0.51) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL8693210 0.86 SLC6A2 (0.50) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL22783126 0.83 SLC6A3 (0.56) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL435099 0.83 SLC6A3 (0.56) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL13382703 0.83 SLC6A3 (0.56) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL19796074 0.80 SLC6A3 (0.53) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL2685822 0.78 SLC6A2 (0.59) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL1309646 0.78 SLC6A2 (0.55) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL28347452 0.78 SLC6A2 (0.55) SLC6A2MEN1PRCPKMT2ASIGMAR1

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
US-20130098429-A1 SOLAR CELL MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-25 US disclosed
EP-2581944-A1 SOLAR CELL MODULE Mitsubishi Chemical Corporation (JP) 2013-04-17 EP disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed