SCHEMBL1680164

SCHEMBL1680164

C[SiH](C)Oc1c(C(C)(C)C)ccc2cc(N(c3ccc4c(O[SiH](C)C)c(C(C)(C)C)ccc4c3)c3ccc4c(O[SiH](C)C)c(C(C)(C)C)ccc4c3)ccc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 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
SCHEMBL1415048 0.81 LMNA (0.34) NR1I2
SCHEMBL7801778 0.73 ALDH1A1 (0.41) NR1I2
SCHEMBL9320794 0.70 ALDH1A1 (0.33)
SCHEMBL9322852 0.70 PLAU (0.33)
SCHEMBL9320813 0.66 PTGS1 (0.43)
SCHEMBL1680171 0.66 NR1I2 (0.38) NR1I2
SCHEMBL6063293 0.66 NR1I2 (0.38) NR1I2
SCHEMBL8715669 0.65 NR1I2 (0.37) NR1I2
SCHEMBL17962916 0.64 NR1I2 (0.36) NR1I2
SCHEMBL14070297 0.63 CYP2D6 (0.39) NR1I2

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-2011041529-A2 TRI-2-NAPHTHYLAMINES ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-04-07 WO disclosed