SCHEMBL18509150

SCHEMBL18509150

CCc1cn(S)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
FEN1 P39748 1/20 0.37
HTR6 P50406 1/20 0.37
HPGD P15428 1/20 0.37
COMT P21964 1/20 0.36
DYRK1A Q13627 1/20 0.36
ATM Q13315 1/20 0.36
KDM4D Q6B0I6 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
SCHEMBL13168783 0.81 CCNT1 (0.47) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL30902715 0.79 ELANE (0.40) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL29223650 0.79 ELANE (0.40) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL12146938 0.79 ELANE (0.40) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL3210383 0.79 ELANE (0.40) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL18993226 0.78 PDE4A (0.42) ELANEKDM4EALDH1A1PDE4APDE4B
SCHEMBL21285314 0.74 HTR6 (0.46) ELANEHTR6
SCHEMBL22252332 0.74 CNR2 (0.53) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL4569768 0.74 FEN1 (0.40) ELANEKDM4EALDH1A1FEN1HTR6
SCHEMBL3210378 0.74 PARP1 (0.49) ELANEFEN1

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed