SCHEMBL14340909

SCHEMBL14340909

COCC1=NC(c2ccnc(N3CCN(C(=O)CCC(C)(C)C)CC3)n2)=NC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTR7 P34969 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14340774 0.85 RAB9A (0.41) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL14340775 0.83 SMO (0.41) KDM4ERAB9AKMT2APOLBMAPT
SCHEMBL390397 0.78 MAPT (0.41) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL387763 0.72 DGAT1 (0.41) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL14340920 0.72 SMO (0.43) KDM4ERAB9AKMT2ANPC1TSHR
SCHEMBL10168035 0.71 PANK3 (0.45) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL387209 0.71 PANK3 (0.54) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL388867 0.70 PANK3 (0.38) PANK3KDM4ERAB9AMEN1PSMD14
SCHEMBL389707 0.69
SCHEMBL387218 0.68 PANK3 (0.43) PANK3KDM4ERAB9AMEN1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed