SCHEMBL932192

SCHEMBL932192

O=CC(Oc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.52
PKLR P30613 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MCOLN3 Q8TDD5 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
GPR183 P32249 1/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
PABPC1 P11940 1/20 0.45
APOBEC3A P31941 1/20 0.45
EIF4H Q15056 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL933278 0.88 KMT2A (0.54) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL932415 0.85 LMNA (0.53) PKMKMT2AMEN1MCOLN3TSHR
SCHEMBL932971 0.83 MCOLN3 (0.58) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL932174 0.83 MCOLN3 (0.50) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL932990 0.79 PKM (0.62) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL931510 0.77 PKM (0.59) PKMPKLRKMT2AMEN1TSHR
SCHEMBL932085 0.77 SMN1; SMN2 (0.55) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL931956 0.75 MEN1 (0.53) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL932569 0.74 KMT2A (0.56) PKMPKLRKMT2AMEN1MCOLN3
SCHEMBL9950939 0.74 PKM (0.65) PKMPKLRKMT2AMEN1ALDH1A1

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-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed