SCHEMBL8330708

SCHEMBL8330708

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.46
LTA4H P09960 1/20 0.45
CHKA P35790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8327678 0.87 KMT2A (0.53) KMT2APOLBMEN1KDM4EL3MBTL1
SCHEMBL8326148 0.86 LTA4H (0.45) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8326337 0.85 POLB (0.49) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8324361 0.83 CYP1A2 (0.40) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL8329017 0.83 ALDH1A1 (0.54) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8330452 0.82 ALDH1A1 (0.43) KMT2APOLBALDH1A1MEN1CHKA
SCHEMBL8329547 0.82 CCR3 (0.47) KMT2APOLBALDH1A1MEN1
SCHEMBL8330706 0.79 KMT2A (0.52) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8617097 0.78 KMT2A (0.49) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8326661 0.77 KMT2A (0.57) KMT2APOLBALDH1A1GAAMEN1

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