SCHEMBL15775756

SCHEMBL15775756

COc1ccc(C2=NC(=O)c3cccc(F)c3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL15775739 0.85 TNKS (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775290 0.85 RAB9A (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775407 0.84 CCNE2 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775298 0.83 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775729 0.82 CHRM5 (0.35) ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL15775479 0.82 NOTUM (0.39) NPC1RAB9ATP53LMNAGAA
SCHEMBL15775318 0.80 HTR7 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775423 0.80 PDCD1 (0.38) MAPTTP53KDM4EPDCD1CD274
SCHEMBL4769027 0.78 NPC1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15775204 0.75 CYP19A1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

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