SCHEMBL8580755

SCHEMBL8580755

Clc1ccc(N2CC3CCc4ccccc4C3=N2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.80
ALDH1A1 P00352 4/20 0.80
NPC1 O15118 3/20 0.80
RAB9A P51151 3/20 0.80
GAA P10253 2/20 0.80
MAPK1 P28482 2/20 0.80
MAPT P10636 2/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
GLA P06280 1/20 0.80
CASP3 P42574 1/20 0.80
RECQL P46063 1/20 0.80
SENP8 Q96LD8 1/20 0.80
SENP7 Q9BQF6 1/20 0.80
SENP6 Q9GZR1 1/20 0.80
PTGS2 P35354 10/20 0.40
KDM1A O60341 1/20 0.40
NPSR1 Q6W5P4 2/20 0.35
PTGS1 P23219 3/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL8578786 0.88 KDM4E (0.61) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8578255 0.86 ALDH1A1 (0.58) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8607073 0.78 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8580027 0.77 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8580696 0.77 ALDH1A1 (0.48) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8606784 0.76 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8581413 0.75 ALDH1A1 (0.45) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8122081 0.72 ALDH1A1 (0.42) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8123737 0.72 ALDH1A1 (0.42) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL8578246 0.70 MAPT (0.40) KDM4EALDH1A1NPC1RAB9AGAA

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
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed