SCHEMBL9826520

SCHEMBL9826520

COc1ccc(C(C)CN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
DRD4 P21917 3/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9825690 0.90 ALDH1A1 (0.39) MEN1KMT2AMOGAT2KDM4ETDP1
SCHEMBL9825658 0.89 DRD3 (0.34) MOGAT2
SCHEMBL9827149 0.89 ALDH1A1 (0.37) MEN1KMT2AMOGAT2KDM4ETDP1
SCHEMBL9825542 0.87 SMN1; SMN2 (0.37) MEN1KMT2AMOGAT2
SCHEMBL9826186 0.87 HRH3 (0.36) MEN1KMT2AMOGAT2
SCHEMBL9827236 0.87 ALDH1A1 (0.45) MEN1KMT2AKDM4E
SCHEMBL9825575 0.87 ALDH1A1 (0.39) CNR2MEN1KMT2AMOGAT2KDM4E
SCHEMBL9826088 0.87 L3MBTL1 (0.34) MEN1KMT2AMOGAT2
SCHEMBL9827456 0.86 ALDH1A1 (0.39) MEN1KMT2AKDM4ETDP1
SCHEMBL9825803 0.85 MCHR1 (0.34) MEN1KMT2AMOGAT2

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
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed