SCHEMBL8327677

SCHEMBL8327677

CNC(NCC1CCCN(Cc2ccc(OC)cc2)C1)=C(C#N)C#N

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL8326146 0.89 TP53 (0.48) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8330706 0.88 KMT2A (0.52) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8326334 0.88 KMT2A (0.56) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8329014 0.87 POLB (0.61) POLBKMT2AMEN1L3MBTL1KDM4E
SCHEMBL8324364 0.86 KMT2A (0.42) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8329545 0.85 CCR3 (0.53) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL8330451 0.85 ALDH1A1 (0.49) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL7498674 0.81 DRD4 (0.56) KMT2AMEN1
SCHEMBL8327678 0.77 KMT2A (0.53) POLBKMT2AMEN1L3MBTL1KDM4E
SCHEMBL8622621 0.76 KMT2A (0.52) POLBKMT2AMEN1L3MBTL1KDM4E

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 5 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
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US 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