SCHEMBL900879

SCHEMBL900879

[CH2]c1ccc(OC(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 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
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 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
SCHEMBL900746 0.84 SLC6A2 (0.38) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL12474304 0.78 ALOX15 (0.39) ALOX15GFERADAM17MAPTSMN1; SMN2
SCHEMBL900880 0.76 LMNA (0.48) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL31241283 0.76 NPSR1 (0.38) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL22115481 0.76 NPSR1 (0.38) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL543035 0.76 GPR3 (0.44) ALOX15RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12491911 0.76 CYP3A4 (0.45) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL4342358 0.76 ALOX15 (0.42) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL12474360 0.73 ALOX15 (0.39) ALOX15GFERADAM17MAPTRAB9A
SCHEMBL16974786 0.73 PPARG (0.54) ALOX15GFERADAM17MAPTRAB9A

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