SCHEMBL8326334

SCHEMBL8326334

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 3/20 0.51
ATM Q13315 1/20 0.49
CCR3 P51677 1/20 0.46
MCHR1 Q99705 1/20 0.44
BCHE P06276 1/20 0.42

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 0.91 TP53 (0.48) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8330451 0.89 ALDH1A1 (0.49) KMT2AMEN1GAALMNAPOLB
SCHEMBL8327677 0.88 POLB (0.54) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8324364 0.88 KMT2A (0.42) KMT2AMEN1GAALMNAPOLB
SCHEMBL8326114 0.87 MEN1 (0.48) KMT2AMEN1
SCHEMBL8329545 0.87 CCR3 (0.53) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8330706 0.86 KMT2A (0.52) KMT2AMEN1GAALMNAPOLB
SCHEMBL8329014 0.83 POLB (0.61) KMT2AMEN1GAALMNAPOLB
SCHEMBL7488935 0.80 DRD3 (0.51) KMT2AMEN1LMNACCR3
SCHEMBL8325591 0.78 OPRM1 (0.40) ALDH1A1

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