SCHEMBL4091324

SCHEMBL4091324

CC(O)c1c(Br)c2ccccc2c[n+]1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.38
POLB P06746 1/20 0.38
UGT2B7 P16662 1/20 0.33
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2720285 0.82 NCEH1 (0.38) NCEH1POLBUGT2B7
SCHEMBL4099395 0.76 TDP1 (0.40) POLBNPC1
SCHEMBL30121106 0.71 POLB (0.35) NCEH1POLB
SCHEMBL15445446 0.71 POLB (0.35) NCEH1POLB
SCHEMBL2012785 0.68 POLB (0.52) NCEH1POLBUGT2B7HSD17B10NPC1
SCHEMBL2720195 0.65 NCEH1 (0.38) NCEH1POLBNPC1MAPTRAB9A
SCHEMBL14038619 0.64 KDM4E (0.42) POLBMAPTRAB9ASMN1; SMN2
SCHEMBL4355031 0.62 RECQL (0.36) NCEH1POLBUGT2B7
Methyl Alcohol SCHEMBL28700048 0.61 POLB (0.52) NCEH1POLBHSD17B10MAPT
SCHEMBL14381324 0.61 POLB (0.38) POLBHSD17B10

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-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed