SCHEMBL21301259

SCHEMBL21301259

CC1CN(c2ccc3cc(-c4nc5c(F)cccc5o4)c(=O)oc3c2)CC(C)N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
GHSR Q92847 14/20 0.36
SLC16A3 O15427 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL15068986 1.00 MAPT (0.38) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL21301289 0.90 MAPT (0.39) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL15068728 0.90 MAPT (0.39) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL21301260 0.89 GHSR (0.38) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL15068772 0.89 GHSR (0.38) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL21301212 0.88 PIK3CD (0.35) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL15068678 0.88 PIK3CD (0.35) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL15069087 0.84 MAPT (0.40) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL15068889 0.84 KDM4E (0.57) MAPTKDM4ENPC1ALDH1A1TP53
SCHEMBL21301263 0.84 KDM4E (0.57) MAPTKDM4ENPC1ALDH1A1TP53

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