SCHEMBL7784960

SCHEMBL7784960

Brc1cccc2c1C[C]=C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32

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
SCHEMBL7793785 0.69 ALDH1A1 (0.33)
SCHEMBL7794474 0.67 THRB (0.35) TRPA1
SCHEMBL7790906 0.65 TRPA1 (0.32) TRPA1
SCHEMBL31285053 0.62 TRPA1 (0.36) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL17288962 0.62 PARP10 (0.36) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL5950996 0.62 TRPA1 (0.43) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2974474 0.62 TRPA1 (0.36) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL29539 0.62
SCHEMBL20528826 0.61 TRPA1 (0.34) TRPA1
SCHEMBL2971904 0.60 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed