SCHEMBL4074692

SCHEMBL4074692

[c]1c[nH]nc1CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PARP1 P09874 2/20 0.36
MAPK1 P28482 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL948765 0.70 SIGMAR1 (0.44) SIGMAR1POLBKMT2AMEN1MAPK1
SCHEMBL948263 0.70 POLB (0.41) SIGMAR1POLBKMT2AMEN1CHRM2
SCHEMBL20917618 0.69 SIGMAR1 (0.44) SIGMAR1POLBKMT2APARP1MAPK1
SCHEMBL19899775 0.67 GAA (0.41) POLBKMT2AMEN1MAPK1CYP1A2
SCHEMBL20535826 0.67 MAPK1 (0.33) MAPK1KCNH2
SCHEMBL28104856 0.67 SIGMAR1 (0.39) SIGMAR1POLBKMT2AMEN1PARP1
SCHEMBL16095641 0.67 SIGMAR1 (0.39) SIGMAR1POLBKMT2AMEN1PARP1
SCHEMBL20641853 0.66 CYP3A4 (0.45) POLBKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1906096 0.66 SIGMAR1 (0.41) SIGMAR1POLBKMT2AMEN1MAPK1
SCHEMBL35212079 0.66 SIGMAR1 (0.47) SIGMAR1POLBKMT2AKCNH2HTT

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-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed