SCHEMBL8329014

SCHEMBL8329014

CNC(NCC1CCCN(Cc2ccc(OC)c(OC)c2)C1)=C(C#N)C#N

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.56
KMT2A Q03164 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 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
SCHEMBL8327677 0.87 POLB (0.54) POLBALDH1A1GAAATMKMT2A
SCHEMBL8329545 0.85 CCR3 (0.53) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL8326146 0.84 TP53 (0.48) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL8330706 0.84 KMT2A (0.52) POLBALDH1A1GAAATMKMT2A
SCHEMBL8326334 0.83 KMT2A (0.56) POLBALDH1A1GAAATMKMT2A
SCHEMBL8324364 0.81 KMT2A (0.42) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL8330451 0.81 ALDH1A1 (0.49) POLBALDH1A1GAAATMKMT2A
SCHEMBL8329017 0.78 ALDH1A1 (0.54) POLBALDH1A1GAAATMKMT2A
SCHEMBL8617330 0.77 ALDH1A1 (0.54) POLBALDH1A1GAAATMKMT2A
SCHEMBL8329181 0.77 MAPT (0.67) POLBALDH1A1GAAATMKMT2A

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