SCHEMBL6869901

SCHEMBL6869901

C#Cc1c(-c2ccc(OC3CCCCO3)cc2)ccc(C#N)c1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.34
AR P10275 3/20 0.33
DHFR P00374 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL19792631 0.84 TNK2 (0.36) TNK2DHFR
SCHEMBL19792622 0.76 TNK2 (0.36) TNK2DHFR
SCHEMBL15145198 0.74 AR (0.44) ARDHFRCYP11B1CYP11B2
SCHEMBL19792632 0.73 TNK2 (0.38) TNK2DHFR
SCHEMBL6869906 0.72 AR (0.37) TNK2ARDHFRCYP11B1CYP11B2
SCHEMBL673267 0.71 MEN1 (0.40) TNK2DHFR
SCHEMBL3143065 0.71 HRH3 (0.52) TNK2AR
SCHEMBL3500438 0.71 TNK2 (0.44) TNK2DHFR
SCHEMBL6869904 0.70 AR (0.40) TNK2ARCYP11B1CYP11B2
SCHEMBL17754317 0.70 ESR1 (0.44) TNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed