SCHEMBL8329017

SCHEMBL8329017

CNC(NCC1CCCN(Cc2ccc(OC)c(OC)c2)C1)C(C#N)C#N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.42
PDE2A O00408 2/20 0.42
PDE3A Q14432 1/20 0.42
TARDBP Q13148 1/20 0.42

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
SCHEMBL8327678 0.87 KMT2A (0.53) POLBMAOAMAOBKDM4EKMT2A
SCHEMBL8329547 0.84 CCR3 (0.47) ALDH1A1POLBMAOAMAOBKMT2A
SCHEMBL8326148 0.84 LTA4H (0.45) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8326337 0.83 POLB (0.49) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8330708 0.83 KMT2A (0.52) ALDH1A1POLBGAAKDM4EKMT2A
SCHEMBL8324361 0.81 CYP1A2 (0.40) ALDH1A1POLBMAOAMAOBKDM4E
SCHEMBL8330452 0.80 ALDH1A1 (0.43) ALDH1A1POLBMAOAMAOBKDM4E
SCHEMBL8617330 0.78 ALDH1A1 (0.54) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8329014 0.78 POLB (0.61) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8323528 0.76 ALDH1A1 (0.59) ALDH1A1POLBGAAMAOAMAOB

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