SCHEMBL932255

SCHEMBL932255

O=CC(Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.59
TSHR P16473 2/20 0.59
PKM P14618 10/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
PABPC1 P11940 1/20 0.56
APOBEC3A P31941 1/20 0.56
EIF4H Q15056 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
PKLR P30613 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL18134604 0.83 MCOLN3 (0.83) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL932197 0.81 PKM (0.59) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL5734563 0.80 MCOLN3 (0.69) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL932971 0.80 MCOLN3 (0.58) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL932955 0.79 KMT2A (0.54) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL20300190 0.78 GAA (0.66) TSHRPKMMEN1KMT2ALMNA
SCHEMBL3169939 0.77 MCOLN3 (0.97) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL932990 0.77 PKM (0.62) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL931956 0.77 MEN1 (0.53) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL933278 0.77 KMT2A (0.54) MCOLN3TSHRPKMMEN1KMT2A

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