SCHEMBL20033406

SCHEMBL20033406

Fc1cc(-c2ncccn2)ccc1C(F)(F)Oc1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 8/20 0.36
▸ CYP11B1 P15538 5/20 0.36
▸ KIF11 P52732 6/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL20033410 0.89 CLK4 (0.36) CYP11B2CYP11B1KIF11CLK4DYRK1A
SCHEMBL20033411 0.88 PDE2A (0.34) CLK4DYRK1APDE2AALOX5APFEN1
SCHEMBL14681256 0.86 CYP11B2 (0.39) CYP11B2CYP11B1KIF11
SCHEMBL20033405 0.86 CYP11B2 (0.40) CYP11B2CYP11B1
SCHEMBL18486761 0.79 FFAR1 (0.32) CLK4DYRK1A
SCHEMBL15773574 0.77 CYP11B2 (0.45) CYP11B2CYP11B1KIF11HDAC6ALOX5AP
SCHEMBL15773587 0.75 CYP11B2 (0.38) CYP11B2CYP11B1KIF11ALOX5APFEN1
SCHEMBL20033412 0.75 FFAR1 (0.40) CYP11B2CYP11B1
SCHEMBL20113143 0.75 CCR6 (0.32) —
SCHEMBL15773593 0.75 CYP11B1 (0.35) CYP11B2CYP11B1KIF11

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-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
Send feedback