SCHEMBL12474364

SCHEMBL12474364

[CH2]Cc1ccc(OC(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ GPR6 P46095 2/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 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
SCHEMBL12474356 0.85 PPARG (0.37) ALOX15GFERADAM17ATMPPARG
SCHEMBL13615572 0.83 ALOX15 (0.37) ALOX15GFERADAM17ATMPPARG
SCHEMBL4677271 0.81 ALOX15 (0.40) ALOX15GFERADAM17ATMPPARG
SCHEMBL1287536 0.81 GPR6 (0.36) ALOX15GFERADAM17ATMPPARG
SCHEMBL20494966 0.81 ALDH1A1 (0.41) ALOX15GFERADAM17ATMPPARG
SCHEMBL18097542 0.80 ALOX15 (0.39) ALOX15GFERADAM17ATMPPARG
SCHEMBL18097556 0.80 ALOX15 (0.35) ALOX15GFERADAM17ATMPPARG
SCHEMBL12474306 0.77 GPR6 (0.36) ALOX15GFERADAM17ATMPPARG
SCHEMBL3391434 0.77 DRD1 (0.41) ALOX15GFERADAM17ATMPPARG
SCHEMBL3321047 0.77 KDM1A (0.44) MAOB

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
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 — — EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 — — WO disclosed
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