SCHEMBL900189

SCHEMBL900189

[CH2]Cc1c(F)cccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
KCNH2 Q12809 5/20 0.46
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
KCNN4 O15554 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
DRD1 P21728 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A3 Q01959 4/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
KLKB1 P03952 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL18150337 0.81 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL18149715 0.81 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL16797182 0.81 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL25767325 0.81 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL20534794 0.77 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL900815 0.77 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL30540309 0.75 KMT2A (0.46) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL129391 0.75 TAAR1 (0.43) POLBSMN1; SMN2HTTTAAR1ALDH1A1
SCHEMBL900885 0.75 KMT2A (0.44) SLC6A2SLC6A4KCNH2KMT2APOLB
SCHEMBL12474345 0.74 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2KMT2APOLB

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