SCHEMBL15775244

SCHEMBL15775244

O=c1[nH]c(-c2ccc(Br)cc2)nc2c(O)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 18/20 1.00
TNKS2 Q9H2K2 18/20 1.00
PARP1 P09874 14/20 1.00
PARP2 Q9UGN5 4/20 0.71
CYP1A1 P04798 1/20 0.61
CYP1B1 Q16678 1/20 0.61
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL7568904 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL1387200 0.87 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL167751 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775695 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL7568427 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775321 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775251 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2CYP1A1
SCHEMBL7569433 0.82 TNKS (0.73) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL7568265 0.82 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL1387251 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E

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