SCHEMBL17580436

SCHEMBL17580436

CC(C)Oc1c(NC=O)cccc1N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 4/20 0.38
POLB P06746 2/20 0.38
ADRA2C P18825 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 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
SCHEMBL5543471 0.79 MAPK1 (0.51) MAPTMAPK1KMT2ALMNAEGFR
SCHEMBL15283252 0.75 ADRA2C (0.58) MAPTMAPK1KMT2ALMNAEGFR
SCHEMBL15283314 0.73 ALK (0.42) ALKMAPTMAPK1KMT2ALMNA
SCHEMBL15283799 0.73 MAPT (0.46) MAPTKMT2ALMNAALDH1A1DRD2
SCHEMBL17580475 0.72 HTR6 (0.44) MAPTMAPK1ALDH1A1POLBTDP1
SCHEMBL15283283 0.72 EGFR (0.42) ALKMAPTEGFRALDH1A1DRD2
SCHEMBL17580393 0.71 UCHL3 (0.49) ALKMAPTMAPK1ALDH1A1
SCHEMBL14621895 0.68 DRD2 (0.67) DRD2DRD3HTR1ADRD4ADRA2C
SCHEMBL17580638 0.68 LMNA (0.42) ALKMAPTLMNAEGFRALDH1A1
SCHEMBL17580551 0.68 HTR3A (0.40) EGFRDRD2DRD3HTR2AHTR2C

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