SCHEMBL7820073

SCHEMBL7820073

CCOP(=O)(OCC)c1cn(C2Cc3c(Cc4nnn(Cc5ccccc5)n4)cccc3C2=O)c(C(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
CNR2 P34972 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7831411 0.86 HDAC6 (0.39) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL8017785 0.85 HDAC6 (0.35) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7832157 0.79 HDAC6 (0.39) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7830747 0.71 HDAC6 (0.43) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7835755 0.67 ALDH1A1 (0.36) SMN1; SMN2THRB
SCHEMBL7829183 0.66 HDAC6 (0.48) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7844105 0.65 P2RX7 (0.34)
SCHEMBL7812723 0.65 TDP1 (0.35)
SCHEMBL8337950 0.64 GAA (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL8098049 0.64 SMN1; SMN2 (0.35) SMN1; SMN2

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-0880522-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES AMPA AND NMDA RECEPTORS ANTAGONISTS, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed