SCHEMBL8323557

SCHEMBL8323557

CNC(NCCC(COCc1ccccc1)NCc1ccc(F)cc1)=C(C#N)C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CTSS P25774 2/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 1/20 0.33
BCHE P06276 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ASAH1 Q13510 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL8323561 0.78 CTSS (0.35) LMNAMAPTL3MBTL1CTSSCTSB
SCHEMBL8622262 0.77 ALDH1A1 (0.36) LMNAMAPTL3MBTL1PLA2G1BATG4B
SCHEMBL8326703 0.76 PLA2G1B (0.38) LMNAMAPTL3MBTL1PLA2G1BATG4B
SCHEMBL13995922 0.75 TACR1 (0.41) LMNAMAPTL3MBTL1PLA2G1BATG4B
SCHEMBL8327295 0.74 IDO1 (0.40) LMNAMAPTL3MBTL1PLA2G1BATG4B
SCHEMBL22307403 0.70 MCL1 (0.47) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL8329466 0.70 NRP1 (0.33) L3MBTL1CTSSCTSBCTSLALDH1A1
SCHEMBL172705 0.69 TACR1 (0.46) TACR1BCHE
SCHEMBL13995917 0.67 TACR1 (0.46) CTSSCTSLKMT2ATACR1BCHE
SCHEMBL7265733 0.67 CA1 (0.47) TACR1KDM4E

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