SCHEMBL13465478

SCHEMBL13465478

COC(=O)C(CC(C)(C)C)c1c(C)cccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 2/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL13465400 0.81 MAPK1 (0.36) POLBKMT2AMEN1PLA2G1BHTT
SCHEMBL13465755 0.78 CYP2C19 (0.43) POLBRECQLKMT2AMEN1HTT
SCHEMBL13465472 0.77 PTGS1 (0.42) POLBRECQLKMT2AMEN1PLA2G1B
SCHEMBL13278421 0.76 KMT2A (0.37) POLBRECQLKMT2AMEN1PLA2G1B
SCHEMBL13281321 0.76 POLB (0.34) POLBRECQLKMT2AMEN1PLA2G1B
SCHEMBL28979022 0.71 KMT2A (0.55) KMT2AMEN1SLC6A4ESR1ESR2
SCHEMBL27964846 0.69 KMT2A (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL2848191 0.69 ESR1 (0.43) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL27550566 0.68 KMT2A (0.44) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL13465551 0.68 ESR1 (0.32) ESR1ESR2

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-2012140243-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-18 WO disclosed