SCHEMBL7495134

SCHEMBL7495134

CNC(=C(C#N)C#N)N(C)C1CN(Cc2ccncc2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
GRIN2B Q13224 8/20 0.35
GBA1 P04062 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD4 P21917 2/20 0.33
CHRM4 P08173 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.32
CNR2 P34972 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
SCHEMBL8324359 0.80 MAPT (0.44) PKMGBA1MAPTKDM4EMEN1
SCHEMBL7495888 0.79 DRD4 (0.41) GRIN2BMEN1KMT2ADRD4CYP1A2
SCHEMBL7496846 0.76 DRD4 (0.48) DRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7495142 0.76 ALDH1A1 (0.41) MEN1KMT2ADRD4CHRM4ALDH1A1
SCHEMBL7494625 0.75 CCR3 (0.42) KDM4EKMT2ADRD4NPC1RAB9A
SCHEMBL8330679 0.72 GRIN2B (0.42) GRIN2BMEN1KMT2ADRD4CYP1A2
SCHEMBL4324084 0.67 DRD4 (0.51) PKMKDM4EDRD4CYP1A2CYP3A4
SCHEMBL8325382 0.67 DRD4 (0.34) PKMDRD4CNR2
SCHEMBL8324364 0.66 KMT2A (0.42) PKMMAPTMEN1KMT2ACHRM4
SCHEMBL7495139 0.66 DRD4 (0.40) MAPTKDM4EDRD4ALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
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