SCHEMBL456397

SCHEMBL456397

Clc1cc(NCC2CCCCO2)c2ncc(I)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
SCN5A Q14524 2/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ERN1 O75460 6/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
STAT1 P42224 1/20 0.38
KMT2A Q03164 1/20 0.38
TNK2 Q07912 5/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 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
SCHEMBL457022 0.97 TNF (0.46) TNFSCN5AALDH1A1SMN1; SMN2ERN1
SCHEMBL470155 0.97 TNF (0.46) TNFSCN5AALDH1A1SMN1; SMN2ERN1
SCHEMBL456990 0.97 TNF (0.46) TNFSCN5AALDH1A1SMN1; SMN2ERN1
SCHEMBL455915 0.85 SCN5A (0.42) TNFSCN5AALDH1A1SMN1; SMN2ERN1
SCHEMBL10279248 0.85 SCN5A (0.42) TNFSCN5AALDH1A1SMN1; SMN2ERN1
SCHEMBL457647 0.82 ERN1 (0.43) ERN1
SCHEMBL10279486 0.76 ERN1 (0.47) ERN1
SCHEMBL17590076 0.76 ERN1 (0.47) ERN1
SCHEMBL458093 0.74 ERN1 (0.49) ERN1
SCHEMBL16692108 0.74 ALDH1A1 (0.44) TNFSCN5AALDH1A1SMN1; SMN2KDM4E

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
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
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