SCHEMBL9219081

SCHEMBL9219081

CCOC(=O)c1ccc(OCC2=CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PANK3 Q9H999 1/20 0.38
PIK3CA P42336 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL9197768 0.79 HRH3 (0.53) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL15004872 0.78 HRH3 (0.60) KCNH2HRH3TBXAS1
SCHEMBL10588330 0.77 MEN1 (0.49) KCNH2HRH3MAPTKDM4ELMNA
SCHEMBL10588331 0.77 MEN1 (0.49) KCNH2HRH3MAPTKDM4ELMNA
SCHEMBL9218533 0.77 KDM4E (0.43) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL9473950 0.75 LMNA (0.52) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL9220052 0.75 KMT2A (0.47) KCNH2HRH3MAPTKDM4ELMNA
SCHEMBL9220790 0.75 MEN1 (0.47) KCNH2HRH3MAPTKDM4ELMNA
SCHEMBL9218018 0.73 KCNH2 (0.44) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL9219673 0.73 NPC1 (0.43) KCNH2HRH3MAPTKDM4ELMNA

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 4 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