SCHEMBL9925448

SCHEMBL9925448

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(C#N)cc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.42
PDE5A O76074 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TNF P01375 1/20 0.39
EGLN1 Q9GZT9 4/20 0.38
PRKDC P78527 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
TP53 P04637 1/20 0.37
CTSA P10619 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN2 Q96KS0 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
SCHEMBL9909251 0.88 CYP11B1 (0.39) HTR5AMRGPRX4PDE5ACYP11B1CYP11B2
SCHEMBL9909169 0.88 PDE5A (0.45) HTR5AMRGPRX4PDE5AEGLN1MEN1
SCHEMBL9909253 0.88 HTR5A (0.55) HTR5AMRGPRX4CYP11B1CYP11B2TNF
SCHEMBL9103249 0.86 HTR5A (0.67) HTR5ATNFPIK3CAMTORMEN1
SCHEMBL9907595 0.85 HTR5A (0.55) HTR5APIK3CAMTORATMTP53
SCHEMBL9925422 0.85 HTR5A (0.60) HTR5ATNFEGLN1PRKDCPIK3CA
SCHEMBL9909256 0.85 HTR5A (0.54) HTR5ATP53CTSACSNK2A1
SCHEMBL9909232 0.84 EGLN2 (0.44) MRGPRX4PDE5ATP53EGLN2CSNK2A1
SCHEMBL9907491 0.83 HTR5A (0.52) HTR5APIK3CAMTORTP53
SCHEMBL9909288 0.82 HTR5A (0.77) HTR5APRKDCPIK3CAPIK3CBMTOR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO disclosed