SCHEMBL8329020

SCHEMBL8329020

CNC(NC(Cc1ccc(OC)c(OC)c1)C1CCCNC1)=C(C#N)C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HTR2A P28223 2/20 0.36
ALOX15 P16050 1/20 0.36
REN P00797 1/20 0.36
ROCK2 O75116 2/20 0.35
LDHA P00338 1/20 0.35
PKN2 Q16513 1/20 0.35
RECQL P46063 1/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CTSC P53634 1/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1C Q13936 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8327687 0.87 DPP4 (0.36) ACACBCTSCALDH1A1
SCHEMBL8329549 0.85 CTSC (0.37) CTSCOPRK1
SCHEMBL8326340 0.83 CTSC (0.43) CTSC
SCHEMBL8326152 0.83 MC4R (0.37) CTSC
SCHEMBL8330711 0.83 EPHX1 (0.39) ACACBCTSCEPHX1
SCHEMBL8324366 0.81 CTSC (0.33) CTSC
SCHEMBL8330460 0.81 CTSC (0.46) CTSC
SCHEMBL8326123 0.72 CTSC (0.37) CTSCALDH1A1LMNA
SCHEMBL22710660 0.70 CA2 (0.49) KDM4EALOX15LDHARECQLMEN1
SCHEMBL20059229 0.67 LDHA (0.54) ALOX15LDHAACACBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed