SCHEMBL14228701

SCHEMBL14228701

Cc1ccc2cc(-c3ccc(C#N)c(F)c3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.59
CYP11B2 P19099 19/20 0.59
AR P10275 1/20 0.47

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
SCHEMBL12012339 0.86 CYP11B1 (0.66) CYP11B1CYP11B2AR
SCHEMBL30985 0.82 TRPV4 (0.57) CYP11B1CYP11B2AR
SCHEMBL18297999 0.82 CYP11B2 (0.67) CYP11B1CYP11B2
SCHEMBL8265080 0.81 CYP11B1 (0.65) CYP11B1CYP11B2AR
SCHEMBL14228700 0.81 CYP11B2 (0.50) CYP11B1CYP11B2
SCHEMBL14525472 0.81 CYP2A6 (0.48) CYP11B1CYP11B2AR
SCHEMBL12326411 0.80 CYP11B1 (0.55) CYP11B1CYP11B2
SCHEMBL16604315 0.80 CYP11B1 (0.55) CYP11B1CYP11B2
SCHEMBL9612021 0.80 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL3163127 0.80 CYP11B1 (0.51) CYP11B1CYP11B2

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-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed