SCHEMBL15086146

SCHEMBL15086146

CC1CN(c2ccc3cc(-c4nc5c(o4)C=CCC5)c(=O)oc3c2)C(C)CN1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16669851 0.81 KDM4E (0.53) WEE1KDM4ENPC1ALDH1A1TP53
SCHEMBL15065876 0.75 MIF (0.53) WEE1KDM4ENPC1ALDH1A1GLA
SCHEMBL15069282 0.71 RAB9A (0.40) WEE1KDM4ENPC1ALDH1A1TP53
SCHEMBL15069029 0.70 ALDH1A1 (0.59) WEE1KDM4ENPC1ALDH1A1TP53
SCHEMBL15069026 0.68 NPC1 (0.43) WEE1KDM4ENPC1ALDH1A1TP53
SCHEMBL25997252 0.64 KDM4E (0.60) KDM4ENPC1ALDH1A1TP53GLA
SCHEMBL15068889 0.64 KDM4E (0.57) KDM4ENPC1ALDH1A1TP53GLA
SCHEMBL21301263 0.64 KDM4E (0.57) KDM4ENPC1ALDH1A1TP53GLA
SCHEMBL15086147 0.64 KDM4E (0.54) KDM4ENPC1ALDH1A1TP53GLA
SCHEMBL21301196 0.62 CA12 (0.30)

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
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed