SCHEMBL11543441

SCHEMBL11543441

CC(=O)c1ccc(-c2ccc(Br)cc2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.51
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CLK1 P49759 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAOB P27338 2/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
PTGS1 P23219 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
S100A4 P26447 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11670688 0.86 HSD17B1 (0.51) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13319554 0.85 HSD17B1 (0.53) HSD17B1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11705750 0.84 HSD17B1 (0.68) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5549813 0.83 MMP1 (0.49) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11542474 0.81 NR4A1 (0.45) HSD17B1KMT2AMEN1RAB9ANPC1
SCHEMBL11542478 0.81 NR4A1 (0.45) HSD17B1KMT2AMEN1RAB9ANPC1
SCHEMBL11544146 0.79 SLC6A3 (0.38) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11544143 0.79 SLC6A3 (0.38) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4641337 0.79 MAPT (0.55) HSD17B1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL177294 0.78 MAPT (0.64) HSD17B1MAPTSMN1; SMN2KMT2AMEN1

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
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed