SCHEMBL900746

SCHEMBL900746

[CH2]c1cc(OC(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 6/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL900879 0.84 ALOX15 (0.38) SLC6A2SLC6A4SLC6A3ALOX15GFER
SCHEMBL12474360 0.78 ALOX15 (0.39) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL16974786 0.78 PPARG (0.54) SLC6A2SLC6A4SLC6A3ALOX15GFER
SCHEMBL18023754 0.76 ALOX15 (0.42) SLC6A2SLC6A4SLC6A3ALOX15GFER
SCHEMBL16957287 0.76 GPR3 (0.44) SLC6A2SLC6A3ALOX15MAPTRAB9A
SCHEMBL900747 0.76 MCL1 (0.50) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL17284534 0.76 PPARG (0.39) SLC6A2SLC6A4SLC6A3ALOX15GFER
SCHEMBL12474304 0.73 ALOX15 (0.39) ALOX15GFERADAM17MAPTSMN1; SMN2
SCHEMBL17125208 0.73 THRB (0.39) SLC6A2SLC6A4SLC6A3ALOX15GFER
SCHEMBL687956 0.72 CA12 (0.48) SLC6A4GFERMAPTRAB9ASMN1; SMN2

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