SCHEMBL20033412

SCHEMBL20033412

Fc1cc(-c2ccccn2)ccc1C(F)(F)Oc1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP11B2 P19099 3/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ CBFB Q13951 3/20 0.35
▸ RUNX1 Q01196 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ MET P08581 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33

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
SCHEMBL20033405 0.90 CYP11B2 (0.40) PDK2KDM4EALDH1A1MAPK1RAB9A
SCHEMBL20033410 0.85 CLK4 (0.36) FFAR1CYP11B2CYP11B1
SCHEMBL18486762 0.84 FFAR1 (0.42) FFAR1PDK2KDM4EALDH1A1MAPK1
SCHEMBL20886073 0.81 KIF11 (0.41) CYP11B2CYP11B1
SCHEMBL14768746 0.80 CYP11B2 (0.44) RAB9ACYP11B2METCYP11B1
SCHEMBL19072645 0.79 CYP11B2 (0.57) PDK2KDM4EALDH1A1MAPK1RAB9A
SCHEMBL20886094 0.79 PDK2 (0.40) PDK2CYP11B2CYP11B1ABL1
SCHEMBL12254126 0.76 SMN1; SMN2 (0.53) KDM4EALDH1A1MAPK1RAB9ACYP11B2
SCHEMBL20033406 0.75 CYP11B2 (0.36) CYP11B2CYP11B1
SCHEMBL5845764 0.75 KDM4E (0.52) FFAR1KDM4EALDH1A1MAPK1RAB9A

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
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