SCHEMBL8327665

SCHEMBL8327665

CNC(C(C#N)C#N)N(C)CCC1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
SLC6A4 P31645 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CACNA1G O43497 1/20 0.34

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
SCHEMBL8327662 0.78 KDM4E (0.39) ALDH1A1KDM4ESPHK2SPHK1SLC6A4
SCHEMBL8325593 0.77 SPHK2 (0.41) ALDH1A1SPHK2SPHK1MAPK1CRHBP
SCHEMBL8330331 0.74 SPHK2 (0.45) ALDH1A1KDM4ESPHK2SPHK1MAPK1
SCHEMBL8328585 0.69 ALDH1A1 (0.34) ALDH1A1KDM4ESPHK2SPHK1SLC6A4
SCHEMBL10462905 0.69 SPHK2 (0.50) ALDH1A1KDM4ESPHK2SPHK1MAPK1
SCHEMBL8621242 0.68 SPHK2 (0.38) ALDH1A1SPHK2SPHK1MAPK1SMN1; SMN2
SCHEMBL8325591 0.68 OPRM1 (0.40) ALDH1A1SPHK2SPHK1
SCHEMBL8621224 0.68 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2ACTSS
SCHEMBL8327242 0.68 SPHK2 (0.49) ALDH1A1KDM4ESPHK2SPHK1MAPK1
SCHEMBL16225834 0.67 MEN1 (0.55) SPHK2SPHK1SLC6A4MEN1KMT2A

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