SCHEMBL4687124

SCHEMBL4687124

CCOC(=O)Oc1cccnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CUL4A Q13619 1/20 0.39
TYMS P04818 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
CASP1 P29466 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
S1PR4 O95977 1/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL7603908 0.83 L3MBTL1 (0.43) BRD4TYMSLMNAKDM4EHSD17B10
SCHEMBL11310549 0.79 S1PR4 (0.35) LMNAKDM4ES1PR4KMT2AGRM4
SCHEMBL2659030 0.78 KDM4E (0.50) BRD4LMNAKDM4EHSD17B10CYP1A2
SCHEMBL6186021 0.78 ALDH1A1 (0.50) BRD4LMNAKDM4EHSD17B10CYP1A2
SCHEMBL8516383 0.77 TSHR (0.52) TYMSLMNAKDM4EHSD17B10MAPT
SCHEMBL3790540 0.76 S1PR4 (0.50) LMNAKDM4EMAPTALDH1A1S1PR4
SCHEMBL10587030 0.76 KDM4E (0.48) LMNAKDM4EHSD17B10CYP1A2CASP1
SCHEMBL7307854 0.76 ALDH1A1 (0.53) BRD4LMNAKDM4EHSD17B10CYP1A2
SCHEMBL5309545 0.75 TRIM24 (0.40) LMNAKDM4EMAPTS1PR4HTT
SCHEMBL2828660 0.75 S1PR4 (0.43) LMNAKDM4ECYP3A4S1PR4HTT

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-1073638-B1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2008-07-23 EP disclosed
EP-1073638-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054304-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed