SCHEMBL932284

SCHEMBL932284

Cc1ccc(SC(C=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.61
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 2/20 0.61
PABPC1 P11940 1/20 0.53
APOBEC3A P31941 1/20 0.53
EIF4H Q15056 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MCOLN3 Q8TDD5 3/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.47
PKLR P30613 1/20 0.46

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
SCHEMBL932569 0.89 KMT2A (0.56) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL932990 0.80 PKM (0.62) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL932255 0.76 MCOLN3 (0.59) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL932197 0.75 PKM (0.59) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL18134604 0.74 MCOLN3 (0.83) PKMLMNASMN1; SMN2HTTMEN1
SCHEMBL9950430 0.72 PKM (0.70) PKMLMNASMN1; SMN2HTTALDH1A1
SCHEMBL5734563 0.72 MCOLN3 (0.69) PKMLMNASMN1; SMN2HTTMEN1
SCHEMBL932971 0.72 MCOLN3 (0.58) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL932955 0.71 KMT2A (0.54) PKMLMNASMN1; SMN2HTTPABPC1
SCHEMBL15014129 0.71 PKM (0.89) PKMLMNASMN1; SMN2HTTMEN1

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