SCHEMBL8330706

SCHEMBL8330706

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.49
BCHE P06276 1/20 0.48
LMNA P02545 1/20 0.46
LTA4H P09960 1/20 0.45
CHKA P35790 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 0.88 POLB (0.54) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8326146 0.87 TP53 (0.48) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8326334 0.86 KMT2A (0.56) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8324364 0.84 KMT2A (0.42) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8329014 0.84 POLB (0.61) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8330451 0.83 ALDH1A1 (0.49) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8329545 0.83 CCR3 (0.53) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8330708 0.79 KMT2A (0.52) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8617097 0.78 KMT2A (0.49) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL8326661 0.77 KMT2A (0.57) KMT2APOLBGAAMEN1ALDH1A1

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