SCHEMBL27680694

SCHEMBL27680694

Cc1cn(CC(C(=O)C(Cn2cc(C)nc2C)c2ccc(Br)cn2)c2ccc(Br)cn2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 6/20 0.35
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK9 P50750 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL27680696 0.81 GAA (0.32) TSHRNPSR1GAAALDH1A1
SCHEMBL27680699 0.77 RAB9A (0.36) TSHRGAARAB9ANPC1MAPT
SCHEMBL27680695 0.75 ALPG (0.40) TSHRRAB9ANPC1
SCHEMBL27660667 0.75 ALDH1A1 (0.43) TSHRRAB9ANPC1MAPTALDH1A1
SCHEMBL27680813 0.74 SMN1; SMN2 (0.44) TSHRRAB9ANPC1CYP2C19
SCHEMBL4893983 0.73 KDM4E (0.44) TSHRNPSR1GAARAB9ANPC1
SCHEMBL27660858 0.71 FPR2 (0.38) TSHRRAB9ANPC1MAPTKMT2A
SCHEMBL27961723 0.70 ALDH1A1 (0.42) TSHRRAB9ANPC1MAPTALDH1A1
SCHEMBL27680698 0.69 HMOX1 (0.47) MAPK1KDM4E
SCHEMBL13316534 0.69 RAB9A (0.42) NPSR1GAARAB9ANPC1LMNA

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