SCHEMBL7715299

SCHEMBL7715299

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
ALB P02768 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR35 Q9HC97 2/20 0.31
GSK3B P49841 2/20 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
SCHEMBL7715334 0.84 MEN1 (0.42) TTRALBMEN1KMT2ACYP1A2
SCHEMBL7718047 0.81 MEN1 (0.39) TTRALBMEN1KMT2ACYP1A2
SCHEMBL23621178 0.75 MEN1 (0.48) TTRALBMEN1KMT2ACYP1A2
SCHEMBL134156 0.74 LMNA (0.43) KMT2A
SCHEMBL7718151 0.73 MEN1 (0.40) TTRALBMEN1KMT2ACYP1A2
SCHEMBL7718165 0.72 GPR35 (0.32) TTRALBMEN1KMT2AGPR35
SCHEMBL7718167 0.72 GPR35 (0.32) TTRALBMEN1KMT2AGPR35
SCHEMBL163129 0.72 AKR1B1 (0.42) TTRALBMEN1KMT2ACYP1A2
SCHEMBL11031270 0.72 VCAM1 (0.41) KMT2AGPR35
SCHEMBL7718108 0.71 TDP1 (0.47)

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