SCHEMBL932569

SCHEMBL932569

O=CC(Sc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
GPR183 P32249 1/20 0.53
PKM P14618 7/20 0.52
PKLR P30613 1/20 0.52
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
PABPC1 P11940 1/20 0.50
APOBEC3A P31941 1/20 0.50
EIF4H Q15056 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MCOLN3 Q8TDD5 2/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL932284 0.89 PKM (0.61) KMT2AALDH1A1PKMPKLRMEN1
SCHEMBL933278 0.80 KMT2A (0.54) KMT2AALDH1A1MAPTGPR183PKM
SCHEMBL932255 0.76 MCOLN3 (0.59) KMT2AALDH1A1PKMPKLRMEN1
SCHEMBL18134604 0.74 MCOLN3 (0.83) KMT2APKMPKLRMEN1LMNA
SCHEMBL932192 0.74 PKM (0.52) KMT2AALDH1A1MAPTGPR183PKM
SCHEMBL932197 0.73 PKM (0.59) KMT2AALDH1A1PKMPKLRMEN1
SCHEMBL9951143 0.72 PKM (0.76) KMT2AALDH1A1MAPTGPR183PKM
SCHEMBL5734563 0.72 MCOLN3 (0.69) KMT2APKMPKLRMEN1LMNA
SCHEMBL932971 0.72 MCOLN3 (0.58) KMT2AALDH1A1PKMPKLRMEN1
SCHEMBL932955 0.71 KMT2A (0.54) KMT2AALDH1A1MAPTPKMPKLR

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