SCHEMBL5262676

SCHEMBL5262676

Clc1cnc(Nc2cccc(-c3ccccn3)n2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 3/20 0.45
HSP90AA1 P07900 2/20 0.45
TP53 P04637 2/20 0.45
ALPL P05186 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL4896697 0.85 KMT2A (0.46) KMT2AHTTMEN1HSD17B10CCR1
Hydrochloric Acid SCHEMBL4891120 0.78 SLC2A1 (0.62) KMT2AHTTMEN1CCR1CCR5
SCHEMBL20919383 0.77 KDM4E (0.68) KMT2AHTTMEN1HSD17B10CCR1
SCHEMBL4900002 0.74 GRM5 (0.47) KMT2AHTTMEN1CCR1CCR5
SCHEMBL5256919 0.73 SLC2A1 (0.60) KMT2AHTTMEN1HSD17B10CCR1
Hydrochloric Acid SCHEMBL4902758 0.73 SMN1; SMN2 (0.61) KMT2AHTTMEN1HSD17B10CCR1
SCHEMBL30608756 0.73 KDM4E (0.61) KMT2AHTTMEN1HSD17B10CCR1
SCHEMBL19782866 0.73 KDM4E (0.61) KMT2AHTTMEN1HSD17B10CCR1
SCHEMBL3139043 0.72 SMN1; SMN2 (0.49) KMT2AHTTMEN1SMN1; SMN2LMNA
SCHEMBL20919346 0.70 KMT2A (0.57) KMT2AHTTMEN1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed