SCHEMBL932795

SCHEMBL932795

Cc1cc(C)cc(S(=O)(=O)N2CCN(C(C=O)Oc3ccccc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
STAT1 P42224 1/20 0.41
CNR1 P21554 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
PTGDR Q13258 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL932636 0.87 ALDH1A1 (0.50) LMNAPKMSMN1; SMN2POLBKMT2A
SCHEMBL932971 0.83 MCOLN3 (0.58) LMNAGAAPKMHTTSMN1; SMN2
SCHEMBL931510 0.82 PKM (0.59) LMNAGAASTAT1PKMHTT
SCHEMBL932990 0.82 PKM (0.62) LMNAGAAPKMHTTSMN1; SMN2
SCHEMBL932329 0.76 GBA1 (0.49) PKMHTTGBA1KDM4E
SCHEMBL933278 0.75 KMT2A (0.54) LMNAGAAPKMHTTSMN1; SMN2
SCHEMBL932591 0.75 GAA (0.58) LMNAGAAPKMHTTSMN1; SMN2
SCHEMBL932085 0.73 SMN1; SMN2 (0.55) LMNAPKMHTTSMN1; SMN2KMT2A
SCHEMBL932415 0.72 LMNA (0.53) LMNAPKMHTTSMN1; SMN2KMT2A
SCHEMBL16825800 0.69 MEN1 (0.46) KMT2AMEN1

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