SCHEMBL7718167

SCHEMBL7718167

COC(=O)NOCC(=O)OCOC(=O)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.32
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
KMT2A Q03164 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
SCHEMBL7718047 0.79 MEN1 (0.39) GPR35MEN1TTRALBKMT2A
SCHEMBL7718165 0.77 GPR35 (0.32) GPR35MEN1TTRALBKMT2A
SCHEMBL7715299 0.72 TTR (0.42) GPR35MEN1TTRALBKMT2A
SCHEMBL7715334 0.72 MEN1 (0.42) GPR35MEN1TTRALBKMT2A
SCHEMBL7718108 0.72 TDP1 (0.47)
SCHEMBL7881971 0.70 ALDH1A1 (0.47) GPR35MEN1KMT2A
SCHEMBL7881129 0.68 GAA (0.40) MEN1KMT2A
SCHEMBL23621178 0.67 MEN1 (0.48) GPR35MEN1TTRALBKMT2A
SCHEMBL163129 0.67 AKR1B1 (0.42) GPR35MEN1TTRALBKMT2A
SCHEMBL7878804 0.65 MAPT (0.50) MEN1KMT2A

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