SCHEMBL18155322

SCHEMBL18155322

COc1ccc(C#Cn2c3c(c4cc(C)ccc42)CCN(C)C3C)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MAOA P21397 2/20 0.32
HSD17B10 Q99714 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
TEAD1 P28347 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL13663451 0.91 HTR2A (0.34) MAPTMAOAKDM4ECYP3A4CYP2D6
SCHEMBL18155277 0.90 HSD17B10 (0.33) MAPTMAOAHSD17B10KDM4EMEN1
SCHEMBL18155293 0.88 KDM4E (0.33) MAPTTHRBMAOAHSD17B10KDM4E
SCHEMBL18155286 0.86 HTR6 (0.40) MAOAHSD17B10KDM4EMEN1TP53
SCHEMBL13663461 0.86 HTR6 (0.38) MAPTMAOAHSD17B10KDM4EMEN1
SCHEMBL18155246 0.86 HSD17B10 (0.37) MAPTMAOAHSD17B10KDM4EMEN1
SCHEMBL18155259 0.84 KDM4E (0.36) MAPTMAOAHSD17B10KDM4EMEN1
SCHEMBL1120646 0.82 KDM4E (0.34) MAPTMAOAHSD17B10KDM4EMEN1
SCHEMBL3240243 0.82 HTR6 (0.39) ADRA2ADRD1HRH1HTR6
SCHEMBL13654591 0.81 KDM4E (0.34) MAPTKDM4EDRD1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed