SCHEMBL27680697

SCHEMBL27680697

CCc1nccn1CC(C=O)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALPG P10696 2/20 0.35
PLAA Q9Y263 1/20 0.35
TSHR P16473 1/20 0.35
ALPL P05186 1/20 0.34
KCNH2 Q12809 4/20 0.34
FPR2 P25090 3/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL27660859 0.87 FPR2 (0.32) ALDH1A1TSHRFPR2
SCHEMBL27680695 0.82 ALPG (0.40) ALPGPLAATSHRALPLKCNH2
SCHEMBL13316538 0.76 GBA1 (0.40) ALDH1A1GBA1
SCHEMBL27680696 0.73 GAA (0.32) ALDH1A1TSHR
SCHEMBL27680700 0.73 HMOX1 (0.45)
SCHEMBL27660669 0.72 KDM4E (0.35) ALDH1A1TSHRGBA1
SCHEMBL27660858 0.71 FPR2 (0.38) TSHRFPR2
SCHEMBL27961725 0.70 ALDH1A1 (0.34) ALDH1A1TSHRGBA1
SCHEMBL27680701 0.70 EGFR (0.32)
SCHEMBL4892376 0.69 ALPG (0.53) ALDH1A1ALPGPLAATSHRALPL

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
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