SCHEMBL4758774

SCHEMBL4758774

COC(=O)c1ccc2cc([O])ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
LCK P06239 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 2/20 0.39
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4163337 0.83 HSD17B14 (0.50) HTTALOX15ALDH1A1KDM4EABCG2
SCHEMBL16880740 0.83 HSD17B14 (0.51) HTTALOX15ALDH1A1KDM4ECYP1A2
SCHEMBL9222973 0.82 MAPK1 (0.46) HTTALOX15ALDH1A1KDM4EABCG2
SCHEMBL14339761 0.82 MAPT (0.48) HTTALOX15ALDH1A1KDM4EGAA
SCHEMBL3364644 0.82 LMNA (0.50) HTTALOX15ALDH1A1KDM4EABCG2
SCHEMBL28071638 0.82 RXFP1 (0.56) ALDH1A1KDM4EABCG2HPGDL3MBTL1
SCHEMBL2004085 0.82 ABCG2 (0.55) HTTALOX15ALDH1A1KDM4EABCG2
SCHEMBL3361032 0.82 HTT (0.41) HTTALOX15ALDH1A1KDM4EABCG2
SCHEMBL7342388 0.82 HDAC8 (0.55) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL31289295 0.82 ABCG2 (0.55) HTTALOX15ALDH1A1KDM4EABCG2

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
CN-101437797-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
EP-1994003-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM . AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102768-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM . ASTRAZENECA AB (SE) 2007-09-13 WO disclosed