SCHEMBL8955048

SCHEMBL8955048

CC1CCC(Sc2ccc3cc(C#N)c(C#N)cc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
MAOA P21397 7/20 0.56
AR P10275 5/20 0.46
SLC6A4 P31645 1/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 2/20 0.36
HTT P42858 2/20 0.36
CASP7 P55210 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL8955927 0.86 MAOA (0.76) MAOBMAOAARSLC6A4MAPT
SCHEMBL8956123 0.84 MAOA (0.77) MAOBMAOAARSLC6A4MAPT
SCHEMBL19223862 0.68 CRBN (0.42) MAOBMAOAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28096614 0.67 AR (0.46) MAOBMAOAARCA1CA2
SCHEMBL12518158 0.66 CRBN (0.41) MAOBMAOAMAPTKDM4EKMT2A
SCHEMBL9514308 0.66 MAOB (0.42) MAOBMAOAARSLC6A4MAPT
SCHEMBL21491120 0.66 MAOA (0.69) MAOBMAOAAR
SCHEMBL2656706 0.66 MAOA (0.73) MAOBMAOAARMAPTKDM4E
SCHEMBL30846804 0.65 MAOB (0.81) MAOBMAOAARALDH1A1TSHR
SCHEMBL13390959 0.64 ROCK1 (0.43)

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