SCHEMBL8328125

SCHEMBL8328125

C#CCN(CC=C)C(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
LSS P48449 2/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
NSD2 O96028 1/20 0.38
OPRD1 P41143 1/20 0.36
PYCR1 P32322 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL31453528 0.86 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AMEN1LSS
SCHEMBL176438 0.77 MEN1 (0.47) SMN1; SMN2KMT2AMEN1
SCHEMBL11114846 0.76 MAOA (0.42) SMN1; SMN2RAB9AKMT2AMEN1GPR55
SCHEMBL15453459 0.73 MAOA (0.54) RAB9AKMT2AMAOAMAOBLIMK2
SCHEMBL9657085 0.71 ALDH5A1 (0.48) SMN1; SMN2RAB9AKMT2AMEN1OPRD1
SCHEMBL30578615 0.71 TSHR (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL8324345 0.71 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AKMT2ALSSNSD2
SCHEMBL8961259 0.70 ALDH1A1 (0.42) SMN1; SMN2RAB9AKMT2AMEN1GPR55
SCHEMBL9067824 0.69 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1SLC6A2CES2
SCHEMBL31516874 0.69 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1OPRD1CES2

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
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed