SCHEMBL8329776

SCHEMBL8329776

CNC(C(C#N)C#N)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL8329013 0.81 ACHE (0.51) ACHEMEN1KMT2AATMPOLB
SCHEMBL8709040 0.80 CTSS (0.43) ACHEMEN1KMT2AATM
SCHEMBL8328840 0.77 CARM1 (0.42) MAPTMAPK1
SCHEMBL18704971 0.75 MEN1 (0.55) MEN1KMT2AATMPOLBRAB9A
SCHEMBL8331028 0.74 BCHE (0.49) ACHE
SCHEMBL8620241 0.74 ACHE (0.41) ACHEMEN1KMT2AATMPOLB
SCHEMBL8117468 0.73 MAPT (0.67) MAPTKDM4EMAPK1
SCHEMBL8328605 0.73 BCHE (0.43) ACHEMAPK1
SCHEMBL8326116 0.73 SLC6A4 (0.47)
SCHEMBL25803201 0.70 HRH3 (0.55) MEN1KMT2AATMPOLBRAB9A

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