SCHEMBL15775319

SCHEMBL15775319

Cc1ccc(C(=O)Nc2c(C)cccc2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
S1PR4 O95977 3/20 0.54
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRNA7 P36544 1/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44

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
SCHEMBL15775601 0.89 KDM4E (0.61) KDM4EPOLBPDCD1CD274ALDH1A1
SCHEMBL15775437 0.88 KDM4E (0.57) KDM4ES1PR4POLBNPC1RAB9A
SCHEMBL15775402 0.88 KDM4E (0.77) KDM4ES1PR4POLBNPC1RAB9A
SCHEMBL15775229 0.88 KDM4E (0.57) KDM4ES1PR4POLBNPC1RAB9A
SCHEMBL15775332 0.86 ALDH1A1 (0.55) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL15775220 0.86 KDM4E (0.58) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9523014 0.85 S1PR4 (0.69) KDM4ES1PR4POLBNPC1RAB9A
SCHEMBL15775205 0.84 RORC (0.54) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL15775208 0.83 RAB9A (0.58) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9522953 0.82 S1PR4 (0.56) KDM4ES1PR4POLBNPC1RAB9A

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed