SCHEMBL8458204

SCHEMBL8458204

C=Cc1c(O)ccc(C#N)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
UPP1 Q16831 1/20 0.32
GAA P10253 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
SNCA P37840 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
AR P10275 2/20 0.30
PGR P06401 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28830766 0.77 TSHR (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4958069 0.74 KDM4E (0.39) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL5928567 0.73 IMPDH2 (0.50) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL9301591 0.73 ALDH1A1 (0.43) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL8418859 0.72
SCHEMBL15534984 0.72 ESR1 (0.36) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL12971238 0.71 TRPA1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5398018 0.71 ALDH1A1 (0.33) MEN1ALDH1A1MAPTKMT2AALOX15
SCHEMBL31290787 0.71 ALDH1A1 (0.33) MEN1ALDH1A1MAPTKMT2ATSHR
SCHEMBL5257630 0.70 AR (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A

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-11334206-A None JP disclosed
JP-H11334206-A OPTICAL RECORDING MEDIUM MITSUBISHI CHEMICAL CORP 1999-12-07 JP disclosed