SCHEMBL15775159

SCHEMBL15775159

Cc1cccc2c1CC(c1ccc(C(C)(C)C)cc1)=NC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PLA2G1B P04054 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
PTAFR P25105 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CXCR5 P32302 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KIF11 P52732 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL15775785 0.88 TNKS (0.41) PARP1MAPTTRPV1TP53TNKS
SCHEMBL15775398 0.86 RAB9A (0.40) PARP1ACHEALDH1A1MAPTPARP10
SCHEMBL15775397 0.84 ACHE (0.40) PARP1ACHEALDH1A1MAPTTDP1
SCHEMBL15775414 0.83 SMN1; SMN2 (0.38) PARP1ACHEALDH1A1MAPTTDP1
SCHEMBL15776267 0.83 NOTUM (0.39) PARP1ACHEALDH1A1MAPTPARP10
SCHEMBL15775238 0.82 PARP10 (0.39) PARP1ACHEPARP10PARP11
SCHEMBL15775739 0.81 TNKS (0.40) PARP1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL15775566 0.79 KCNH2 (0.35) ACHEALDH1A1HPGDNPC1RAB9A
SCHEMBL15775471 0.76 PDCD1 (0.35) PARP1ACHEMAPTPARP10PARP11
SCHEMBL15775815 0.76 GRM2 (0.40) MAPTTHRB

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