SCHEMBL10763582

SCHEMBL10763582

CC(C)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
ALB P02768 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CXCR5 P32302 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL23621177 0.85 TTR (0.48) TTRALBMEN1KMT2ACYP1A2
SCHEMBL31153862 0.80 MEN1 (0.47) TTRALBMEN1KMT2ACYP1A2
SCHEMBL7627302 0.77 CA2 (0.52) TTRALBMEN1KMT2ACYP1A2
SCHEMBL765589 0.76 ALOX12 (0.47) MEN1KMT2AHTTLMNAALOX12
SCHEMBL1963234 0.76 NR3C1 (0.42) TTRALBMEN1KMT2A
SCHEMBL2467430 0.74 TTR (0.38) TTRALBMEN1KMT2A
SCHEMBL2656346 0.73 TTR (0.35) TTRALBMEN1KMT2ALMNA
SCHEMBL29844634 0.73 CYP11B1 (0.39) LMNAALOX12NPSR1GPR35
SCHEMBL7627299 0.72 TTR (0.52) TTRALBMEN1KMT2ACYP1A2
SCHEMBL12127948 0.72 TTR (0.37) TTRALBMEN1KMT2A

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
EP-0219143-A1 Synergistic herbicidal compositions and methods of use STAUFFER CHEMICAL COMPANY (US) 1987-04-22 EP disclosed