SCHEMBL9524677

SCHEMBL9524677

O=C(Cl)c1cc(Cl)c(Br)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.33
SRD5A2 P31213 1/20 0.33
KMO O15229 2/20 0.32
DAO P14920 1/20 0.32
TPMT P51580 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GLRA1 P23415 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL31049040 0.85 CES2 (0.35) TTRTSHRALDH1A1NPC1RAB9A
SCHEMBL10644194 0.80 TTR (0.62) TTRTSHRALDH1A1MAPTSRD5A2
SCHEMBL10921198 0.79 TTR (0.48) TTRTSHRALDH1A1MAPTSRD5A2
SCHEMBL983196 0.79 HPGD (0.46) TTRTSHRALDH1A1SRD5A2KMO
SCHEMBL28319759 0.78 CA5A (0.46) TTRTSHRALDH1A1MAPTTPMT
SCHEMBL27864269 0.78 HTT (0.44) TTRTSHRALDH1A1MAPTKDM4E
SCHEMBL11184770 0.78 TTR (0.48) TTRTSHRALDH1A1MAPT
SCHEMBL4903616 0.77 TTR (0.65) TTRTSHRALDH1A1MEN1KMT2A
SCHEMBL104060 0.77 ALDH1A1 (0.54) TTRTSHRALDH1A1MAPTSRD5A2
SCHEMBL11818428 0.77 APEX1 (0.41) TTRTSHRALDH1A1MAPTTPMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP disclosed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed