SCHEMBL7829183

SCHEMBL7829183

O=C1CCc2c(Cc3nnn(Cc4ccccc4)n3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CNR2 P34972 4/20 0.39
TRPV1 Q8NER1 3/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MDM2 Q00987 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GAA P10253 1/20 0.36
MGLL Q99685 2/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7830747 0.80 HDAC6 (0.43) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL11631564 0.77 ALDH1A1 (0.47) ALDH1A1MDM2KMT2ACTDSP1GAA
SCHEMBL4405605 0.76 HDAC6 (0.68) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL8563039 0.73 HDAC6 (0.54) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL7832157 0.71 HDAC6 (0.39) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL8021985 0.68 HDAC6 (0.52) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL11630964 0.67 ALDH1A1 (0.44) L3MBTL1ALDH1A1LMNATDO2KMT2A
SCHEMBL4409125 0.66 RAB9A (0.59) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL28186377 0.66 CNR2 (0.59) HDAC6RAB9AL3MBTL1CNR2TRPV1
SCHEMBL4161458 0.66 RAB9A (0.59) HDAC6RAB9ASMN1; SMN2NPC1L3MBTL1

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 3 patents. 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
US-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed