SCHEMBL15775414

SCHEMBL15775414

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ACHE P22303 2/20 0.36
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
PTPRC P08575 1/20 0.33
TYR P14679 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL15775398 0.88 RAB9A (0.40) SMN1; SMN2NPC1RAB9ATSHRTNKS
SCHEMBL15775397 0.87 ACHE (0.40) SMN1; SMN2NPC1RAB9ATSHRACHE
SCHEMBL15776267 0.86 NOTUM (0.39) SMN1; SMN2NPC1RAB9ATSHRTNKS
SCHEMBL15775238 0.84 PARP10 (0.39) ACHEGAAPARP1PARP10PARP11
SCHEMBL15775739 0.83 TNKS (0.40) SMN1; SMN2NPC1RAB9ATSHRTNKS
SCHEMBL15775159 0.83 PARP1 (0.36) SMN1; SMN2NPC1RAB9ATNKSTNKS2
SCHEMBL15775729 0.83 CHRM5 (0.35) SMN1; SMN2TSHRGAAMAOBPTPRC
SCHEMBL15775785 0.82 TNKS (0.41) TNKSTNKS2PARP2PARP1MAOB
SCHEMBL15775566 0.81 KCNH2 (0.35) SMN1; SMN2NPC1RAB9AACHEKMT2A
SCHEMBL15775471 0.78 PDCD1 (0.35) SMN1; SMN2ACHEGAAPARP1PARP10

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