SCHEMBL4671564

SCHEMBL4671564

O=C(O)Oc1nc(COc2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 5/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPK1 P28482 2/20 0.43
FFAR1 O14842 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4675161 0.90 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3554869 0.81 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4672078 0.76 PPARD (0.50) NPC1RAB9AMAPTKDM4EFFAR1
SCHEMBL9428441 0.76 KDM4E (0.58) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4677512 0.76 KCNH2 (0.53) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL1756437 0.74 PPARD (0.53) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6527094 0.74 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9428612 0.72 PTGS2 (0.51) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9428747 0.72 ALOX5 (0.60) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19509921 0.72 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHTT

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
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed