SCHEMBL8955927

SCHEMBL8955927

N#Cc1cc2ccc(SC3CCCC3)cc2cc1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.76
MAOB P27338 8/20 0.76
AR P10275 5/20 0.56
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 1/20 0.38
XDH P47989 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8956123 0.98 MAOA (0.77) MAOAMAOBARKDM4ENSD2
SCHEMBL8955048 0.86 MAOB (0.56) MAOAMAOBARKDM4ENSD2
SCHEMBL2656706 0.79 MAOA (0.73) MAOAMAOBARKDM4EMAPT
SCHEMBL28440703 0.77 MAOA (0.51) MAOAMAOBARKDM4ELMNA
SCHEMBL23323158 0.77 MAOA (0.51) MAOAMAOBARKDM4EMAPT
SCHEMBL21491120 0.75 MAOA (0.69) MAOAMAOBAR
SCHEMBL22288286 0.75 MAOA (0.53) MAOAMAOBARKDM4ELMNA
SCHEMBL12875976 0.75 AR (0.94) MAOAMAOBAR
SCHEMBL23295265 0.73 MAOA (0.96) MAOAMAOBARALDH1A1PTGIR
SCHEMBL2578708 0.72 MAOA (1.00) MAOAMAOBARPTGIR

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-5484685-A Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI, LTD. (JP) 1996-01-16 US disclosed
EP-0366440-B1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI CHEMICAL CO LTD (JP) 1994-06-08 EP disclosed
EP-0366440-A2 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-05-02 EP disclosed