SCHEMBL9685952

SCHEMBL9685952

CC1(C)OCC(COc2cc(N)c(F)cc2Cl)O1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
MAPK14 Q16539 14/20 0.39
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36

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
SCHEMBL12519657 0.80 CA2 (0.42) CA2MAPK14KCNJ5KCNJ3
SCHEMBL2503804 0.79 CA2 (0.40) CA2MAPK14KCNJ5KCNJ3
SCHEMBL2503801 0.79 CA2 (0.40) CA2MAPK14KCNJ5KCNJ3
SCHEMBL15244043 0.78 CA2 (0.45) CA2MAPK14
SCHEMBL18812550 0.78 MAPK14 (0.46) CA2MAPK14
SCHEMBL358069 0.78 MAPK14 (0.42) CA2MAPK14KCNJ5KCNJ3
SCHEMBL358068 0.78 MAPK14 (0.42) CA2MAPK14KCNJ5KCNJ3
SCHEMBL359982 0.78 MAPK14 (0.42) CA2MAPK14KCNJ5KCNJ3
SCHEMBL2494022 0.77 CA2 (0.38) CA2MAPK14KCNJ5KCNJ3
SCHEMBL2494026 0.77 CA2 (0.38) CA2MAPK14KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349748-B1 SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES BAYER AG (DE) 1992-11-19 EP disclosed
US-5118849-A Arylamines intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-5039334-A Herbicidal and plant growth-regulating substituted N-aryl nitrogen heterocycles BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed