SCHEMBL2532447

SCHEMBL2532447

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(/C=N/Oc3ccccc3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 3/20 0.35
SPR P35270 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2532449 1.00 CCR1 (0.42) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659501 0.88 CCR1 (0.40) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659500 0.88 CCR1 (0.40) CCR1GAAKDM4EPOLBTSHR
SCHEMBL2598564 0.86 GAA (0.47) CCR1GAAKDM4EPOLBTSHR
SCHEMBL2598566 0.86 GAA (0.47) CCR1GAAKDM4EPOLBTSHR
SCHEMBL3689050 0.86 GAA (0.47) CCR1GAAKDM4EPOLBTSHR
SCHEMBL1774177 0.85 GAA (0.44) CCR1GAAKDM4EPOLBTSHR
SCHEMBL1774175 0.85 GAA (0.44) CCR1GAAKDM4EPOLBTSHR
SCHEMBL1774040 0.84 GAA (0.49) CCR1GAAKDM4EPOLBTSHR
SCHEMBL3681642 0.83 GAA (0.48) CCR1GAAKDM4EPOLBTSHR

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-2376487-B1 THIAZOLYL OXIME ETHER AND HYDRAZONES AS PLANT PROTECTION AGENT BAYER IP GMBH (DE) 2016-01-06 EP disclosed
EP-2376487-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT Bayer CropScience AG (DE) 2011-10-19 EP disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO disclosed