SCHEMBL8563039

SCHEMBL8563039

Brc1ccccc1Cc1nnn(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GRM2 Q14416 1/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CNR2 P34972 4/20 0.42
CNR1 P21554 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 2/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL4405605 0.82 HDAC6 (0.68) HDAC6RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL4161458 0.78 RAB9A (0.59) HDAC6RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL27164148 0.75 TAAR1 (0.43) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL4409125 0.74 RAB9A (0.59) HDAC6RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL8021985 0.74 HDAC6 (0.52) HDAC6RAB9AL3MBTL1NPC1KDM4E
SCHEMBL4405809 0.74 RAB9A (0.62) HDAC6RAB9AL3MBTL1GRM2NPC1
SCHEMBL7829183 0.73 HDAC6 (0.48) HDAC6RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL7830747 0.72 HDAC6 (0.43) HDAC6RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL4411921 0.72 RAB9A (0.56) HDAC6RAB9AL3MBTL1NPC1CNR2
SCHEMBL31272767 0.71 HDAC6 (0.58) HDAC6RAB9AL3MBTL1NPC1LMNA

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-0880522-A1 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1998-12-02 EP disclosed
WO-1997025328-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed