SCHEMBL7328378

SCHEMBL7328378

Cc1cccc(-c2cn3cc[n+](C)c3c(=O)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
PARP1 P09874 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
MEN1 O00255 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.34
PBRM1 Q86U86 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TDP2 O95551 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
SCHEMBL7327732 0.85 TNKS (0.39) TNKSKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7327605 0.84 TNKS (0.53) TNKSKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7331035 0.82 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL7329545 0.77 TNKS (0.41) TNKSKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7336871 0.75 MAP2K1 (0.44) TNKSKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7337601 0.74 TNKS (0.43) TNKSPARP1TNKS2ADORA3
SCHEMBL7328423 0.73 MAPT (0.42) TNKSKDM4EALDH1A1MAPTRAB9A
SCHEMBL7339375 0.73 TNKS (0.71) TNKSMAPTRAB9AKMT2ANPC1
SCHEMBL7328372 0.72 NPC1 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7337908 0.72 SCN10A (0.38) TNKSKDM4EALDH1A1MAPTRAB9A

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