SCHEMBL6272948

SCHEMBL6272948

Brc1ccc2c(c1)C(c1cccs1)OCCN2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL3983061 0.62 PGR (0.44) MAPTKDM4EATML3MBTL1
SCHEMBL6910639 0.62 DRD3 (0.41) MAPTKDM4EATML3MBTL1GAA
SCHEMBL11255961 0.61 ESR1 (0.51) ALDH1A1HTR2AHTR2C
SCHEMBL19099122 0.60 HTR2B (0.36) MAPTKDM4EATML3MBTL1POLB
SCHEMBL20571939 0.60 HTR2B (0.46) MAPTKDM4EATML3MBTL1ALDH1A1
SCHEMBL17785801 0.60 HTR2B (0.46) MAPTKDM4EATML3MBTL1ALDH1A1
SCHEMBL8663605 0.60 KDM4E (0.44) MAPTKDM4EATML3MBTL1GAA
SCHEMBL22050032 0.60 HTR2B (0.46) MAPTKDM4EATML3MBTL1ALDH1A1
SCHEMBL31511252 0.60 HTR2B (0.46) MAPTKDM4EATML3MBTL1ALDH1A1
SCHEMBL31000351 0.60 HTR2B (0.46) MAPTKDM4EATML3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO disclosed