SCHEMBL8325593

SCHEMBL8325593

CNC(NCC1CCCCN1Cc1ccc(F)cc1)C(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
MAPK1 P28482 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7495991 0.83 L3MBTL1 (0.33) SPHK2SPHK1
SCHEMBL8326116 0.79 SLC6A4 (0.47)
SCHEMBL8326337 0.77 POLB (0.49) ALDH1A1LMNA
SCHEMBL8327665 0.77 ALDH1A1 (0.39) SPHK2SPHK1MAPK1CTSSCTSK
SCHEMBL8325591 0.75 OPRM1 (0.40) SPHK2SPHK1ALDH1A1OPRM1
SCHEMBL8621242 0.75 SPHK2 (0.38) SPHK2SPHK1MAPK1ALDH1A1LMNA
SCHEMBL8330331 0.75 SPHK2 (0.45) SPHK2SPHK1MAPK1ALDH1A1CRHBP
SCHEMBL7488941 0.72 DRD4 (0.50) LMNA
SCHEMBL10462905 0.71 SPHK2 (0.50) SPHK2SPHK1MAPK1ALDH1A1CRHBP
SCHEMBL8331028 0.71 BCHE (0.49)

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