SCHEMBL20929630

SCHEMBL20929630

CC1CCC(c2ccc(N)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
FEN1 P39748 12/20 0.33
ALOX5AP P20292 11/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.31
KDM1A O60341 2/20 0.30
KCNH2 Q12809 2/20 0.30
KDM1B Q8NB78 2/20 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
SCHEMBL12719836 0.88 ESR2 (0.43) ESR2FEN1ALOX5APNOTUMKDM1A
SCHEMBL739170 0.82 ESR2 (0.39) ESR2NOTUM
SCHEMBL19754822 0.81 ESR2 (0.38) ESR2FEN1ALOX5APNOTUM
SCHEMBL172422 0.81 ESR2 (0.38) ESR2FEN1ALOX5APNOTUM
SCHEMBL12437063 0.81 ESR2 (0.38) ESR2FEN1ALOX5APNOTUM
SCHEMBL10091243 0.81 ESR2 (0.38) ESR2FEN1ALOX5APNOTUM
SCHEMBL802760 0.79 ESR2 (0.37) ESR2NOTUM
SCHEMBL31026 0.79 ESR2 (0.37) ESR2NOTUM
SCHEMBL18646734 0.78 ESR2 (0.36) ESR2NOTUM
SCHEMBL12662767 0.78 ESR2 (0.44) ESR2FEN1ALOX5APNOTUM

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
US-20190119573-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2019-04-25 US disclosed