SCHEMBL7715334

SCHEMBL7715334

N#Cc1cc(Br)c(OC(=O)OCCl)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GSK3B P49841 2/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
F2 P00734 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
SCHEMBL7715299 0.84 TTR (0.42) MEN1TTRALBKMT2AGPR35
SCHEMBL7718047 0.81 MEN1 (0.39) MEN1TTRALBKMT2AGPR35
SCHEMBL7718151 0.76 MEN1 (0.40) MEN1TTRALBKMT2AGPR35
SCHEMBL23621178 0.75 MEN1 (0.48) MEN1TTRALBKMT2AGPR35
SCHEMBL134156 0.74 LMNA (0.43) KMT2A
SCHEMBL5533531 0.72 HPGD (0.48) MEN1TTRALBKMT2ATHRB
SCHEMBL7881129 0.72 GAA (0.40) MEN1KMT2A
SCHEMBL7881971 0.72 ALDH1A1 (0.47) MEN1KMT2AGPR35
SCHEMBL7718167 0.72 GPR35 (0.32) MEN1TTRALBKMT2AGPR35
SCHEMBL7718165 0.72 GPR35 (0.32) MEN1TTRALBKMT2AGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed