SCHEMBL7832157

SCHEMBL7832157

O=C(O)c1nccn1C1Cc2c(Cc3nnn(Cc4ccccc4)n3)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
CNR2 P34972 2/20 0.34
RIPK1 Q13546 2/20 0.32
THRB P10828 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHPS P49366 1/20 0.30
AOC3 Q16853 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
SCHEMBL7831411 0.86 HDAC6 (0.39) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL7820073 0.79 HDAC6 (0.36) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL8817138 0.78 GRM5 (0.40) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7830747 0.78 HDAC6 (0.43) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL8554133 0.76 ADRA2A (0.35) DHPS
SCHEMBL7820040 0.76 RORC (0.31)
SCHEMBL8017785 0.76 HDAC6 (0.35) HDAC6SMN1; SMN2RAB9ANPC1CNR2
SCHEMBL8557798 0.74 KIF11 (0.36) CNR2ALDH1A1
SCHEMBL8555959 0.72 KIF11 (0.34)
SCHEMBL8555249 0.72 KIF11 (0.36)

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