Sugi Predict

Sugi Predict / Compounds / SCHEMBL2336045

SCHEMBL2336045

SCHEMBL2336045

CCN(C)/C=N/c1cc(Cl)c(Oc2ccc(Cl)c(C(C)(C)C)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 2/20 0.34
▸ HTR2A P28223 6/20 0.33
▸ SLC6A4 P31645 6/20 0.33
▸ KCNH2 Q12809 5/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 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
SCHEMBL2336047 1.00 ESRRA (0.34) ESRRAHTR2ASLC6A4KCNH2SCN9A
SCHEMBL912135 0.94 HTR2A (0.33) ESRRAHTR2ASLC6A4KCNH2SLC6A2
SCHEMBL2340382 0.94 HTR2A (0.33) ESRRAHTR2ASLC6A4KCNH2SLC6A2
SCHEMBL912134 0.94 HTR2A (0.33) ESRRAHTR2ASLC6A4KCNH2SLC6A2
SCHEMBL910774 0.91 SCN9A (0.35) ESRRAHTR2ASLC6A4KCNH2SCN9A
SCHEMBL3299887 0.91 SCN9A (0.35) ESRRAHTR2ASLC6A4KCNH2SCN9A
SCHEMBL22176952 0.91 HTR2A (0.35) ESRRAHTR2ASLC6A4KCNH2
SCHEMBL910773 0.91 SCN9A (0.35) ESRRAHTR2ASLC6A4KCNH2SCN9A
SCHEMBL3300501 0.89 HTR2A (0.34) ESRRAHTR2ASLC6A4KCNH2SLC6A2
SCHEMBL3300506 0.89 HTR2A (0.34) ESRRAHTR2ASLC6A4KCNH2SLC6A2

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-1931622-B1 PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-08-24 — — EP disclosed