SCHEMBL8326337

SCHEMBL8326337

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
ATM Q13315 1/20 0.42
CCR3 P51677 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL8326148 0.90 LTA4H (0.45) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8330452 0.89 ALDH1A1 (0.43) POLBMEN1KMT2AALDH1A1MAOB
SCHEMBL8327678 0.88 KMT2A (0.53) POLBMEN1KMT2AMAOBMAOA
SCHEMBL8324361 0.87 CYP1A2 (0.40) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL8326116 0.87 SLC6A4 (0.47) SLC6A4SLC6A3
SCHEMBL8329547 0.87 CCR3 (0.47) POLBMEN1KMT2AALDH1A1MAOB
SCHEMBL8330708 0.85 KMT2A (0.52) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8329017 0.83 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL7488941 0.80 DRD4 (0.50) MEN1KMT2ALMNASLC6A4
SCHEMBL8325593 0.77 SPHK2 (0.41) ALDH1A1LMNA

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