SCHEMBL8327803

SCHEMBL8327803

CNC(NCC(O)CNCc1ccc(F)cc1)=C(C#N)C#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
DNM1 Q05193 1/20 0.43
LMNA P02545 2/20 0.41
BCHE P06276 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ADRB1 P08588 1/20 0.34
CHRM2 P08172 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
SCHEMBL8327808 0.72 NPC1 (0.45) NPC1DNM1LMNAMEN1KMT2A
SCHEMBL8622887 0.72 NPC1 (0.44) NPC1DNM1LMNABCHEMEN1
SCHEMBL8326197 0.69 DNM1 (0.55) NPC1DNM1LMNAMEN1KMT2A
SCHEMBL2915394 0.69 DNM1 (0.55) NPC1DNM1LMNAMEN1KMT2A
SCHEMBL22307403 0.68 MCL1 (0.47) LMNAMEN1KMT2APOLBHPGD
SCHEMBL8328838 0.66 MAPK1 (0.50) CHRM2
SCHEMBL170986 0.65 LMNA (0.64) NPC1DNM1LMNAMEN1KMT2A
SCHEMBL6663240 0.65 LMNA (0.59) LMNAMEN1KMT2AL3MBTL1PLA2G1B
SCHEMBL8326114 0.64 MEN1 (0.48) MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL4710846 0.64 LOXL2 (0.51) NPC1DNM1LMNAALDH1A1ADRB1

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 5 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-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US 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