SCHEMBL16631062

SCHEMBL16631062

COc1ccc(C(OCc2ccc(-c3cccc(I)c3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 5/20 0.47
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DYRK1A Q13627 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL16628094 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL17954293 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL16624847 0.83 CASP3 (0.50) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL16624805 0.82 ACSS2 (0.42) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL17954315 0.82 CASP3 (0.46) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL17954297 0.82 FYN (0.43) CYP11B1CYP11B2RAB9AFFAR1KDM4E
SCHEMBL20101406 0.81 FFAR1 (0.41) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL16627148 0.80 FYN (0.39) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL16624624 0.79 CYP4F2 (0.42) CYP11B1CYP11B2CASP3SENP8SENP7
SCHEMBL16631081 0.78 FFAR1 (0.43) CASP3SENP8SENP7SENP6RAB9A

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
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed