SCHEMBL7330451

SCHEMBL7330451

C[n+]1ccn2cc(-c3cccc(Cl)c3)[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PGR P06401 4/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
NOTUM Q6P988 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL7328378 0.86 TNKS (0.38) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL7329545 0.84 TNKS (0.41) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL7327732 0.84 TNKS (0.39) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL7331035 0.81 MAPT (0.48) ALDH1A1LMNAPGRMEN1NPC1
SCHEMBL7327605 0.78 TNKS (0.53) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL15287352 0.75 PARP1 (0.53) BRD4KDM4EALDH1A1LMNAGLA
SCHEMBL7336871 0.74 MAP2K1 (0.44) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL7330447 0.72 BRD4 (0.41) BRD4KDM4EALDH1A1LMNAGLA
SCHEMBL7328423 0.72 MAPT (0.42) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL7337908 0.71 SCN10A (0.38) KDM4EALDH1A1GAANPC1RAB9A

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
EP-0726900-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1996-08-21 EP disclosed
WO-1995012594-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-05-11 WO disclosed