SCHEMBL8759782

SCHEMBL8759782

COc1ccc(-c2c(C(=O)N3CCOCC3)sc3ccc(I)cc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
PRKCZ Q05513 1/20 0.50
MAPK1 P28482 1/20 0.50
JAK2 O60674 1/20 0.47
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ERN1 O75460 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
KIT P10721 1/20 0.42
RAB9A P51151 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 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
SCHEMBL9188508 0.88 MAPT (0.53) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL8759517 0.88 PRKCZ (0.55) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL8759564 0.86 JAK2 (0.51) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL9184045 0.85 HPGD (0.55) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL9431313 0.80 KMT2A (0.55) NPC1MAPTKMT2AMEN1MAPK1
SCHEMBL9188762 0.77 RAB9A (0.52) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL8759258 0.74 UBE2N (0.55) NPC1MAPTKMT2AMEN1JAK2
SCHEMBL1608957 0.71 CES2 (0.55) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL1608941 0.71 HPGD (0.58) NPC1MAPTKMT2AMEN1PRKCZ
SCHEMBL9173237 0.68 KMT2A (0.77) MAPTKMT2AMAPK1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2124859-A None JP disclosed
EP-0485207-B1 Stabilized oil-in-water emulsions RHONE POULENC AGROCHIMIE (FR) 1997-05-28 EP disclosed
US-5475132-A Fungicide intermediates RHONE-POULENC AGROCHIMIE (FR) 1995-12-12 US disclosed
US-5342835-A Antifungal agents based on amides containing a phenyl group RHONE-POULENC AGROCHIMIE (FR) 1994-08-30 US disclosed
EP-0485207-A1 Stabilized oil-in-water emulsions RHONE-POULENC AGROCHIMIE (FR) 1992-05-13 EP disclosed
JP-H02124859-A ANTIFUNGAL AGENT BASED ON AMIDE CONTAINING PHENYL GROUP RHONE POULENC AGROCHIM 1990-05-14 JP disclosed