SCHEMBL3911024

SCHEMBL3911024

COc1cc(C=O)c(Br)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.68
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 5/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL4228186 0.87 PRKDC (0.64) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL29956928 0.82 ALDH1A1 (0.62) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL4367355 0.82 ALDH1A1 (0.62) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL3910995 0.82 KDM4E (0.52) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL3910992 0.82 KDM4E (0.52) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL515642 0.81 PRKDC (1.00) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL8574466 0.81 KDM4E (0.50) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL4169467 0.80 ALDH1A1 (0.59) PRKDCLCKFYNALDH1A1KDM4E
SCHEMBL6763991 0.80 LCK (0.85) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL1918763 0.80 LCK (0.66) LCKFYNALDH1A1KDM4EHPGD

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
EP-2024350-B1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2013-09-18 EP disclosed
EP-2024350-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS Anaconda Pharma (FR) 2009-02-18 EP disclosed
WO-2007135106-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2007-11-29 WO disclosed