SCHEMBL27680701

SCHEMBL27680701

Cc1cnc(C)n1CC(C=O)c1ccc(Br)cn1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 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
SCHEMBL27680699 0.80 RAB9A (0.36) EGFRERBB2MEN1KMT2AKDM4E
SCHEMBL27680696 0.76 GAA (0.32)
SCHEMBL13316538 0.76 GBA1 (0.40) KDM4EMAPK1S1PR4S1PR3
SCHEMBL27660669 0.75 KDM4E (0.35) KDM4ES1PR4S1PR3
SCHEMBL27961725 0.73 ALDH1A1 (0.34) MEN1KMT2AKDM4EATMS1PR4
SCHEMBL27680700 0.70 HMOX1 (0.45) MAPK1
SCHEMBL27680697 0.70 ALDH1A1 (0.37)
SCHEMBL27658270 0.68 ALDH1A1 (0.37) MEN1KMT2AKDM4ES1PR4S1PR3
SCHEMBL31477344 0.68 ALDH1A1 (0.37) MEN1KMT2AKDM4ES1PR4S1PR3
SCHEMBL27924986 0.68 HDAC3 (0.32) KMT2AKDM4E

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
CN-1989134-A 3- {4- (pyridin-3-yl) phenyl} -5- (1h-1, 2, 3-triazol-1-ylmethyl) -1, 3-oxazolidin-2-ones as antibacterial agents ASTRAZENECA AB (SE) 2007-06-27 CN disclosed
CN-1989137-A 3- '4- {6-substituted alkanoyl) pyridin-3-yl} -3-phenyl! -5- (1h-1, 2, 3-triazol-1-ylmethyl) -1, 3-oxazolidin-2-ones as antibacterial agents ASTRAZENECA AB (SE) 2007-06-27 CN disclosed