SCHEMBL17580465

SCHEMBL17580465

CC(C)Oc1cc(C2CC(C)(C)NC(C)(C)C2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
CHEK1 O14757 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR5A P47898 1/20 0.32
KDM1A O60341 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
RCE1 Q9Y256 2/20 0.31
EP300 Q09472 1/20 0.31
TLR8 Q9NR97 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL15283382 0.82 TLR8 (0.40) CHEK1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL12705397 0.78 QDPR (0.44) CHEK1HTR2CTLR8
SCHEMBL17580584 0.78 TSHR (0.33) POLBTSHRCHEK1ALDH1A1MAPT
SCHEMBL25541718 0.75 ALDH1A1 (0.39) POLBTSHRALDH1A1KDM1AKMT2A
SCHEMBL12705251 0.74 QDPR (0.52) CHEK1TLR8
SCHEMBL12705532 0.74 PDE4A (0.48) POLBTSHRHTR1AEP300
SCHEMBL25207492 0.74 MEN1 (0.34) ALDH1A1MAPTKDM1AKMT2AKDM4E
SCHEMBL25541729 0.74 KDM1A (0.33) ALDH1A1MAPTKDM1AKMT2AMEN1
SCHEMBL17580522 0.73 CCR5 (0.39) CHEK1KDM1ATLR8
SCHEMBL15283319 0.72 HTR1A (0.44) CHEK1HTR1AHTR1DHTR2CHTR7

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
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed