SCHEMBL4742952

SCHEMBL4742952

NC(=O)c1ccc(OCCCBr)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.66
PARP15 Q460N3 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP16 Q8N5Y8 1/20 0.53
PARP11 Q9NR21 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
PARP2 Q9UGN5 2/20 0.53
PRSS1 P07477 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TMPRSS2 O15393 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
F2 P00734 1/20 0.50
PLAU P00749 1/20 0.50
PRMT1 Q99873 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
TBXAS1 P24557 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL9053251 0.91 PARP10 (0.68) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL1785980 0.86 PARP10 (0.62) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL19024978 0.85 GAA (0.58) KMT2AL3MBTL1GAA
SCHEMBL12321296 0.85 L3MBTL1 (0.55) PARP10ALDH1A1PRSS1L3MBTL1TMPRSS2
Water SCHEMBL5055924 0.83 PARP10 (0.68) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL1086686 0.83 PARP10 (0.72) PARP10L3MBTL1GAA
SCHEMBL27987025 0.83 PARP10 (0.68) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL1977030 0.83 PARP10 (0.68) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL4687732 0.83 PARP10 (0.68) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL1925564 0.83 PKM (0.67) ALDH1A1L3MBTL1

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-2012168664-A1 4-{3-[TRANS-HEXAHYDROCYCLOPENTA[C]PYRROL-2(1H)-YL]PROPOXY}BENZAMIDE, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS THAT CONTAIN SAME LES LABORATOIRES SERVIER (FR) 2012-12-13 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed