SCHEMBL9617428

SCHEMBL9617428

Cc1cc(NC(=O)COc2ccccc2)cc(C)c1S(=O)(=O)c1c(C)cc(NC(=O)COc2ccccc2)c(C[N+](=O)[O-])c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
MGAT2 Q10469 1/20 0.45
POLB P06746 7/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8463757 0.79 NPC1 (0.55) NPC1MGAT2POLBRAB9AMAPT
SCHEMBL30463815 0.70 NPC1 (0.74) NPC1POLBRAB9AMAPTMAPK1
SCHEMBL9353090 0.67 KMT2A (0.52) NPC1POLBRAB9AMAPTMAPK1
SCHEMBL11309015 0.65 POLB (0.60) NPC1POLBRAB9AMAPTMAPK1
SCHEMBL11310900 0.65 NPC1 (0.72) NPC1POLBRAB9AMAPTMAPK1
SCHEMBL9353097 0.65 NPC1 (0.44) NPC1POLBRAB9AMAPTSMN1; SMN2
SCHEMBL3836094 0.64 MAPT (0.76) NPC1POLBRAB9AMAPTSMN1; SMN2
SCHEMBL12793742 0.64 KMT2A (0.69) NPC1POLBRAB9AMAPTALDH1A1
SCHEMBL31503975 0.64 LMNA (0.78) NPC1POLBRAB9AMAPTMAPK1
SCHEMBL3498895 0.64 LMNA (0.78) NPC1RAB9AMAPTMAPK1SMN1; SMN2

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
JP-4234357-A None JP disclosed
JP-H04234357-A AMIDOBENZENES IMPERIAL CHEM IND PLC <ICI> 1992-08-24 JP disclosed