SCHEMBL8326148

SCHEMBL8326148

CNC(NCC1CCCN(Cc2ccc(Cl)cc2)C1)C(C#N)C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8326337 0.90 POLB (0.49) MAOAMAOBGAAKMT2AMEN1
SCHEMBL8329547 0.90 CCR3 (0.47) MAOAMAOBKMT2AMEN1POLB
SCHEMBL8327678 0.89 KMT2A (0.53) MAOAMAOBKMT2AMEN1POLB
SCHEMBL8324361 0.88 CYP1A2 (0.40) MAOAMAOBKMT2AMEN1POLB
SCHEMBL8330452 0.88 ALDH1A1 (0.43) MAOAMAOBKMT2AMEN1POLB
SCHEMBL8330708 0.86 KMT2A (0.52) LTA4HGAAKMT2AMEN1POLB
SCHEMBL8329017 0.84 ALDH1A1 (0.54) MAOAMAOBGAAKMT2AMEN1
SCHEMBL7498335 0.80 DRD4 (0.52) CYP2D6
SCHEMBL8326116 0.76 SLC6A4 (0.47)
SCHEMBL8326146 0.75 TP53 (0.48) LTA4HGAAKMT2AMEN1POLB

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