SCHEMBL9213571

SCHEMBL9213571

ClCCCOc1ccc(C2=NCCO2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.65
KCNH2 Q12809 1/20 0.65
LTA4H P09960 1/20 0.60
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ACKR3 P25106 1/20 0.43
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9668080 0.90 HRH3 (0.68) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL7448226 0.86 KCNH2 (0.63) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL9668251 0.84 HRH3 (0.61) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL8539893 0.84 HRH3 (0.61) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL9217206 0.84 KCNH2 (0.61) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL31282734 0.84 KCNH2 (0.61) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL9862868 0.84 HRH3 (0.61) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL9219724 0.80 HRH3 (0.57) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL9425669 0.78 HRH3 (0.52) HRH3KCNH2LTA4HHDAC3HDAC4
SCHEMBL11782167 0.78 LTA4H (0.62) HRH3KCNH2LTA4HACKR3

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 7 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
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN 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
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed