SCHEMBL470022

SCHEMBL470022

O=S(=O)(CCNc1cc(Cl)nn2c(I)cnc12)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.41
PI4KA P42356 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
ERN1 O75460 5/20 0.33
GSTO1 P78417 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL457376 0.75 TTK (0.58) ERN1
SCHEMBL456366 0.72 ERN1 (0.34) ERN1
SCHEMBL456669 0.71 HRH4 (0.41) PI4KBPI4KAHRH4ALDH1A1LMNA
SCHEMBL455915 0.70 SCN5A (0.42) ALDH1A1ERN1SMN1; SMN2
SCHEMBL457647 0.70 ERN1 (0.43) ERN1
SCHEMBL22855371 0.70 MAPT (0.40) L3MBTL1SMN1; SMN2MAPK1
SCHEMBL470155 0.69 TNF (0.46) ALDH1A1LMNAERN1SMN1; SMN2MAPK1
SCHEMBL456990 0.69 TNF (0.46) ALDH1A1LMNAERN1SMN1; SMN2MAPK1
SCHEMBL456397 0.68 TNF (0.43) ALDH1A1LMNAERN1SMN1; SMN2MAPK1
SCHEMBL455120 0.68 TTK (0.36) PI4KBPI4KAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed