SCHEMBL932085

SCHEMBL932085

O=CC(Oc1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MCOLN3 Q8TDD5 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.48
PKM P14618 7/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
EIF4H Q15056 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PKLR P30613 1/20 0.45
HTT P42858 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
SCHEMBL932971 0.88 MCOLN3 (0.58) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL933278 0.82 KMT2A (0.54) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932990 0.82 PKM (0.62) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932415 0.79 LMNA (0.53) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932174 0.78 MCOLN3 (0.50) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932192 0.77 PKM (0.52) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932636 0.76 ALDH1A1 (0.50) SMN1; SMN2LMNAMEN1KMT2APKM
SCHEMBL931956 0.76 MEN1 (0.53) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL932255 0.74 MCOLN3 (0.59) SMN1; SMN2MCOLN3TSHRLMNAMEN1
SCHEMBL931510 0.74 PKM (0.59) TSHRLMNAMEN1KMT2APKM

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