SCHEMBL2444196

SCHEMBL2444196

COc1cc(C(Br)C=O)cc(OC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
ERN1 O75460 3/20 0.39
GAA P10253 1/20 0.38
AMY1A P0DUB6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL20400672 0.85 ACHE (0.43) ERN1GAAALDH1A1KDM4EMAPT
SCHEMBL5786402 0.85 ACHE (0.43) ERN1GAAALDH1A1KDM4EMAPT
SCHEMBL4349469 0.79 GAA (0.50) PRKDCGAAALDH1A1TSHRTDP1
SCHEMBL16212392 0.77 GAA (0.38) PRKDCERN1GAAALDH1A1TSHR
SCHEMBL1162537 0.76 ALDH1A1 (0.46) ERN1ALDH1A1ELANEMAPT
SCHEMBL3504212 0.75 GAA (0.38) GAAAMY1AALDH1A1TSHRNPSR1
SCHEMBL16212030 0.75 TSHR (0.55) GAAALDH1A1TSHRTDP1NPSR1
SCHEMBL3875000 0.74 ALDH1A1 (0.45) PRKDCGAAALDH1A1KDM4ETDP1
SCHEMBL16415970 0.73 SLC6A2 (0.43) GAAALDH1A1TSHR
SCHEMBL15713187 0.73 HDAC4 (0.42) GAAAMY1AMAPTNPSR1

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
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed