SCHEMBL9218008

SCHEMBL9218008

CCOC(=O)c1ccc(OCCC2CCN(c3cccnn3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44
KCNH2 Q12809 1/20 0.44
TBXAS1 P24557 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPY1R P25929 1/20 0.41
PIK3CA P42336 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SLC6A7 Q99884 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
SCHEMBL9218060 0.95 HRH3 (0.45) KDM4EALDH1A1MAPTMAPK1HTT
Pirodavir SCHEMBL146440 0.87 HRH3 (0.46) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL9209675 0.84 HRH3 (0.44) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL9218863 0.84 HRH3 (0.44) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL9209752 0.84 HRH3 (0.44) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL15004677 0.83 KCNH2 (0.42) MAPTHTTHRH3KCNH2TBXAS1
SCHEMBL9212796 0.82 PIK3CA (0.44) KDM4EALDH1A1MAPTHRH3KCNH2
SCHEMBL9218579 0.81 HRH3 (0.43) KDM4EMAPTHRH3KCNH2TBXAS1
SCHEMBL9218229 0.80 MAPT (0.46) MAPTHRH3KCNH2NPC1RAB9A
SCHEMBL9220790 0.80 MEN1 (0.47) KDM4EMAPTHTTHRH3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed