SCHEMBL8617097

SCHEMBL8617097

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.45
LTA4H P09960 1/20 0.44
CHKA P35790 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BCHE P06276 1/20 0.43
ATM Q13315 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
SCHEMBL8622621 0.87 KMT2A (0.52) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL8622390 0.86 LTA4H (0.44) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8617203 0.85 POLB (0.48) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8624170 0.83 ALDH1A1 (0.43) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8617330 0.83 ALDH1A1 (0.54) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8619286 0.83 CCR3 (0.46) KMT2APOLBMEN1
SCHEMBL8330706 0.78 KMT2A (0.52) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8330708 0.78 KMT2A (0.52) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8326661 0.76 KMT2A (0.57) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL64017 0.73 CHKA (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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