SCHEMBL455915

SCHEMBL455915

Clc1cc(NCC2COCCO2)c2ncc(I)n2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
ERN1 O75460 12/20 0.38
CCNT1 O60563 2/20 0.35
TNF P01375 1/20 0.33
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL456990 0.86 TNF (0.46) SCN5AERN1TNFALDH1A1SMN1; SMN2
SCHEMBL470155 0.86 TNF (0.46) SCN5AERN1TNFALDH1A1SMN1; SMN2
SCHEMBL457022 0.86 TNF (0.46) SCN5AERN1TNFALDH1A1SMN1; SMN2
SCHEMBL456397 0.85 TNF (0.43) SCN5AERN1TNFALDH1A1SMN1; SMN2
SCHEMBL457647 0.82 ERN1 (0.43) ERN1
SCHEMBL463409 0.73 TTK (0.62)
SCHEMBL104696 0.70 TTK (0.36) ERN1
SCHEMBL470022 0.70 PI4KB (0.41) ERN1ALDH1A1SMN1; SMN2
SCHEMBL455120 0.69 TTK (0.36) ERN1
SCHEMBL458996 0.69 ERN1 (0.36) ERN1

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-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed