SCHEMBL7830747

SCHEMBL7830747

O=C1c2cccc(Cc3nnn(Cc4ccccc4)n3)c2CC1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
CNR2 P34972 4/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ATM Q13315 1/20 0.32
DHPS P49366 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL7829183 0.80 HDAC6 (0.48) HDAC6RAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL7832157 0.78 HDAC6 (0.39) HDAC6RAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL8017785 0.73 HDAC6 (0.35) HDAC6RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL8563039 0.72 HDAC6 (0.54) HDAC6RAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL7820073 0.71 HDAC6 (0.36) HDAC6RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL4405605 0.70 HDAC6 (0.68) HDAC6RAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL7848848 0.69 KDM4E (0.40) SMN1; SMN2ALDH1A1
SCHEMBL8013087 0.67
SCHEMBL7180368 0.66 PARP10 (0.44) HDAC6ALDH1A1
SCHEMBL7822661 0.66 AKR1B1 (0.40) TDP1

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