SCHEMBL13445952

SCHEMBL13445952

NC(=O)c1cccc(OCCF)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.57
PRSS1 P07477 9/20 0.54
PARP10 Q53GL7 2/20 0.54
TNKS O95271 1/20 0.54
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
KMT2A Q03164 1/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
F10 P00742 2/20 0.48

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
SCHEMBL4326927 0.88 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL19732841 0.88 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL30938280 0.88 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL29686682 0.87 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL9448432 0.87 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL15987223 0.86 PARP1 (0.61) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL203780 0.85 PRSS1 (0.61) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL31133401 0.85 KMT2A (0.71) KMT2A
SCHEMBL19983022 0.85 KMT2A (0.71) KMT2A
SCHEMBL28029093 0.84 PARP1 (0.62) PARP1PRSS1PARP10TNKSPARP15

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-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 EP disclosed