SCHEMBL8323561

SCHEMBL8323561

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR1 P25103 1/20 0.34
BCHE P06276 2/20 0.33
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
SLC6A4 P31645 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
SCHEMBL8622262 0.78 ALDH1A1 (0.36) CTSSCTSBCTSLALDH1A1PKM
SCHEMBL8323557 0.78 LMNA (0.35) CTSSCTSBCTSLALDH1A1PKM
SCHEMBL8326703 0.78 PLA2G1B (0.38) CTSSCTSBCTSLALDH1A1PKM
SCHEMBL13995922 0.77 TACR1 (0.41) ALDH1A1PKMMEN1KMT2ATACR1
SCHEMBL8327295 0.75 IDO1 (0.40) ALDH1A1MEN1KMT2ATACR1BCHE
SCHEMBL8329466 0.71 NRP1 (0.33) CTSSCTSBCTSLALDH1A1MEN1
SCHEMBL172705 0.71 TACR1 (0.46) TACR1BCHE
SCHEMBL13995917 0.68 TACR1 (0.46) CTSSCTSLKMT2ATACR1BCHE
SCHEMBL25591014 0.67 TAAR1 (0.41) ALDH1A1PKMKMT2ALMNA
SCHEMBL14422854 0.66 TSHR (0.54) KMT2ATACR1PPARA

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