SCHEMBL15775477

SCHEMBL15775477

O=c1[nH]c(-c2ccc(Cl)cc2)cc2c(F)cccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.69
TNKS O95271 10/20 0.64
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE10A Q9Y233 1/20 0.50
TNKS2 Q9H2K2 2/20 0.48
SERPINE1 P05121 1/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
GUSB P08236 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL15775297 0.86 PARP1 (0.67) PARP1TNKSKDM4ETNKS2SERPINE1
SCHEMBL15775728 0.85 TNKS (0.64) PARP1TNKSKMT2ATNKS2MEN1
SCHEMBL15567668 0.85 PARP1 (0.69) PARP1TNKSKDM4EKMT2ATNKS2
SCHEMBL15775421 0.82 TNKS (0.73) PARP1TNKSTNKS2PARP2
SCHEMBL15776266 0.82 PARP1 (0.69) PARP1TNKSKDM4EKMT2APDE10A
SCHEMBL15791061 0.82 PARP1 (1.00) PARP1TNKSKDM4EKMT2APDE10A
SCHEMBL15775754 0.81 PARP1 (0.71) PARP1TNKSKDM4EKMT2ATNKS2
Hydrochloric Acid SCHEMBL15775429 0.81 PARP1 (0.97) PARP1TNKSKDM4EKMT2APDE10A
SCHEMBL15569103 0.79 TNKS (0.60) PARP1TNKSTNKS2PARP2
SCHEMBL15776281 0.78 TNKS (0.78) PARP1TNKSKDM4EKMT2APDE10A

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 3 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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed