SCHEMBL7831411

SCHEMBL7831411

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CNR2 P34972 2/20 0.33
THRB P10828 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
MARS1 P56192 1/20 0.33
RIPK1 Q13546 1/20 0.31
AOC3 Q16853 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL7820073 0.86 HDAC6 (0.36) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL7832157 0.86 HDAC6 (0.39) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL7848182 0.79 GRM5 (0.37) ALDH1A1
SCHEMBL8017785 0.78 HDAC6 (0.35) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL7812723 0.78 TDP1 (0.35) TDP1
SCHEMBL7830747 0.77 HDAC6 (0.43) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL7844105 0.76 P2RX7 (0.34)
SCHEMBL7835755 0.73 ALDH1A1 (0.36) SMN1; SMN2THRBALDH1A1LMNAHTT
SCHEMBL7829183 0.71 HDAC6 (0.48) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL8316817 0.70 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ALMNAL3MBTL1

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