SCHEMBL20147075

SCHEMBL20147075

CCCOCCOCCOc1ccc(-c2cc3c(s2)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2sc(-c4ccc(OCCCCCCOCCOC)cc4)cc2C2=C3C(F)(F)C(F)(I)C2(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.34
MGAT2 Q10469 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL20146985 0.78
SCHEMBL15183074 0.77 TNKS (0.34)
SCHEMBL17617006 0.76
SCHEMBL16021792 0.75 CHEK1 (0.41) CHEK1HRH3
SCHEMBL15275316 0.74 CHEK1 (0.31) CHEK1
SCHEMBL20146986 0.73 KDM4E (0.34)
SCHEMBL17617001 0.72 KDM4E (0.33) CHEK1
SCHEMBL10002014 0.71 PRKDC (0.34)
SCHEMBL15275315 0.69 NCF1 (0.31)
SCHEMBL17617023 0.67 HSD11B1 (0.32)

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-2760969-B1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MAT INC (CA) 2018-05-16 EP disclosed