SCHEMBL9219673

SCHEMBL9219673

CCOC(=O)c1ccc(OCCC2CCCN(c3ccc(Cl)nn3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TBXAS1 P24557 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 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
SCHEMBL9220790 0.84 MEN1 (0.47) KCNH2HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL9219964 0.81 KCNH2 (0.40) RAB9AKCNH2HRH3KMT2ATBXAS1
SCHEMBL10588331 0.81 MEN1 (0.49) NPC1RAB9AKCNH2HRH3MEN1
SCHEMBL10588330 0.81 MEN1 (0.49) NPC1RAB9AKCNH2HRH3MEN1
Pirodavir SCHEMBL146440 0.80 HRH3 (0.46) NPC1RAB9AKCNH2HRH3KMT2A
SCHEMBL9214586 0.79 LMNA (0.46) MEN1KMT2ASMN1; SMN2CHRNB2CHRNA7
SCHEMBL5884868 0.79 KCNH2 (0.36) KCNH2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL9197768 0.79 HRH3 (0.53) KCNH2HRH3MEN1KMT2ATBXAS1
SCHEMBL15004872 0.78 HRH3 (0.60) KCNH2HRH3TBXAS1
SCHEMBL9218863 0.77 HRH3 (0.44) NPC1RAB9AKCNH2HRH3TBXAS1

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