SCHEMBL8559814

SCHEMBL8559814

CON=C(C(=O)Oc1ccc(OCc2cccc(-c3ccccn3)n2)cc1)c1ccc(OCc2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.45
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
FFAR1 O14842 6/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL8555940 0.89 ADORA3 (0.41) PARP10SMN1; SMN2MAPK14SMOPDE10A
SCHEMBL8554714 0.88 PARP10 (0.57) PARP10SMN1; SMN2MAPK14SMOMEN1
SCHEMBL8557214 0.84 ADORA3 (0.47) NPC1SMN1; SMN2MEN1KMT2AADORA3
SCHEMBL8554930 0.80 GPBAR1 (0.62) FFAR1PDE10AGPBAR1
SCHEMBL8555090 0.79 GPBAR1 (0.61) FFAR1PDE10AGPBAR1
SCHEMBL8557020 0.79 GPBAR1 (0.46) NPC1SMN1; SMN2FFAR1KMT2APDE10A
SCHEMBL8626716 0.76 NPC1 (0.54) NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8557149 0.76 KMT2A (0.38) NPC1SMN1; SMN2MEN1KMT2AGPBAR1
SCHEMBL8622650 0.76 NPC1 (0.53) NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8559076 0.75 KMT2A (0.40) PARP10MAPK14SMOMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed