SCHEMBL9537404

SCHEMBL9537404

NC(=Nc1c(F)cccc1-c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
ATM Q13315 1/20 0.38
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
EGFR P00533 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
MET P08581 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
SCHEMBL9061389 0.85 SIGMAR1 (0.39) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9537649 0.84 POLB (0.39) SIGMAR1CHEK1MAPK1KMT2ACHRM3
SCHEMBL9059900 0.80 SIGMAR1 (0.49) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9059580 0.78 SIGMAR1 (0.44) SIGMAR1ATMALOX5APFEN1GRM5
SCHEMBL9311430 0.77 SIGMAR1 (0.41) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9060156 0.77 SIGMAR1 (0.41) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL9059612 0.76 SIGMAR1 (0.43) SIGMAR1ATMALOX5APFEN1KMT2A
SCHEMBL9059676 0.76 SIGMAR1 (0.43) SIGMAR1ATMALOX5APFEN1KMT2A
SCHEMBL9059245 0.73 SIGMAR1 (0.44) SIGMAR1ATMCDC7PLK4CHEK1
SCHEMBL8395262 0.72 SIGMAR1 (0.50) SIGMAR1KMT2ALMNAGAAMAPT

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-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed