SCHEMBL14390861

SCHEMBL14390861

COC(=O)c1sc(C)cc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
MAPT P10636 7/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL2729001 0.83 GSK3B (0.43) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12531858 0.83 MAPT (0.40) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL11607933 0.82 PKM (0.34) MAPTTSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL21152318 0.81 IKBKB (0.42) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL13545972 0.81 RAF1 (0.39) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL161941 0.79 L3MBTL1 (0.60) RAF1MAPTL3MBTL1
SCHEMBL24212419 0.78 L3MBTL1 (0.46) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL17227588 0.78 RAF1 (0.42) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12272176 0.77 HSD17B10 (0.44) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL166726 0.77 MAPT (0.54) MAPTKMT2ATSHRHSD17B10ALDH1A1

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 WO disclosed