SCHEMBL21301360

SCHEMBL21301360

COCc1cc(OC)cc(-c2cc3ccc(N4CCCN(C)CC4)cc3oc2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
ALK Q9UM73 1/20 0.43
MIF P14174 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
DRD4 P21917 1/20 0.39
CCR4 P51679 2/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL15066685 0.91 MAOB (0.48) ACHEALKMIFNPC1RAB9A
SCHEMBL15068980 0.77 ADRB1 (0.49) ALKMIFNPC1RAB9AMEN1
SCHEMBL30708181 0.75 NPC1 (0.61) ACHEALKMIFNPC1RAB9A
SCHEMBL15067192 0.75 NPC1 (0.61) ACHEALKMIFNPC1RAB9A
SCHEMBL30708179 0.75 NPC1 (0.61) ACHEALKMIFNPC1RAB9A
SCHEMBL15066757 0.75 ALK (0.44) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL15069364 0.74 NPC1 (0.53) ALKNPC1RAB9A
SCHEMBL15066958 0.73 ALK (0.46) ACHEALKMIFNPC1RAB9A
SCHEMBL27262075 0.73 MIF (0.57) ACHEMIFNPC1RAB9AMEN1
SCHEMBL27262381 0.72 MIF (0.56) MIFNPC1RAB9AMEN1KMT2A

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-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed