SCHEMBL19683221

SCHEMBL19683221

Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.73
LMNA P02545 5/20 0.70
TSHR P16473 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 1/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
KMT2A Q03164 1/20 0.68
CNR2 P34972 5/20 0.62
TP53 P04637 1/20 0.62
CNR1 P21554 4/20 0.61
LPAR1 Q92633 2/20 0.58
NR1H4 Q96RI1 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL19668631 0.84 ENPP2 (1.00) ENPP2LMNATSHRSMN1; SMN2MAPK1
SCHEMBL17124855 0.78 LMNA (0.81) ENPP2LMNATSHRSMN1; SMN2MAPT
SCHEMBL19392300 0.77 KMT2A (0.77) LMNATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL11180220 0.76 PKM (0.61) SMN1; SMN2ALDH1A1HTTKMT2ACNR2
SCHEMBL19668630 0.75 ENPP2 (1.00) ENPP2LMNATSHRSMN1; SMN2MAPK1
SCHEMBL18084766 0.75 LMNA (0.78) ENPP2LMNATSHRSMN1; SMN2MAPT
SCHEMBL16903160 0.74 LMNA (0.78) ENPP2LMNATSHRSMN1; SMN2MAPT
SCHEMBL21623277 0.74 LMNA (0.84) LMNATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL18084732 0.74 LMNA (0.82) ENPP2LMNATSHRSMN1; SMN2MAPT
SCHEMBL18377080 0.73 CNR2 (0.67) MAPTALDH1A1MAPK1HTTCNR2

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
WO-2017210527-A1 AUTOTAXIN INHIBITORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-07 WO disclosed