SCHEMBL3404611

SCHEMBL3404611

CCn1ccc2nc(Cl)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGER4 P35408 1/20 0.35
LMNA P02545 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ABCC4 O15439 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
GRM2 Q14416 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 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
SCHEMBL23554878 0.78 KDM4E (0.38) KDM4EMAPK1ALDH1A1LMNARAB9A
SCHEMBL25786725 0.78 ALDH1A1 (0.35) KDM4EMAPK1ALDH1A1LMNARAB9A
SCHEMBL1623225 0.78 BRD9 (0.50) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL17463071 0.76 PTGER4 (0.41) KDM4EPTGER4RAB9AKMT2APKM
SCHEMBL3402123 0.72 PSMB5 (0.53) KDM4ELMNARAB9APDE4APDE4B
SCHEMBL31743124 0.72 DDR1 (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL25904615 0.70 KDM4E (0.37) KDM4E
SCHEMBL15206939 0.70 BRD9 (0.40) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL10885460 0.70 BRD9 (0.68) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL22207013 0.69 MAPT (0.34) KDM4EMAPK1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed