SCHEMBL932415

SCHEMBL932415

COc1ccccc1OC(C=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MCOLN3 Q8TDD5 3/20 0.52
TSHR P16473 3/20 0.52
PKM P14618 4/20 0.52
PABPC1 P11940 1/20 0.50
APOBEC3A P31941 1/20 0.50
EIF4H Q15056 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL932971 0.85 MCOLN3 (0.58) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL932192 0.85 PKM (0.52) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL932990 0.84 PKM (0.62) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL933278 0.84 KMT2A (0.54) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL932174 0.83 MCOLN3 (0.50) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL932085 0.79 SMN1; SMN2 (0.55) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL931956 0.77 MEN1 (0.53) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL2961007 0.76 SMN1; SMN2 (0.80) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL932255 0.76 MCOLN3 (0.59) LMNASMN1; SMN2KMT2AMEN1MCOLN3
SCHEMBL932197 0.75 PKM (0.59) LMNASMN1; SMN2KMT2AMEN1MCOLN3

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