SCHEMBL4041277

SCHEMBL4041277

CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
GAA P10253 5/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
GPR183 P32249 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CXCR3 P49682 1/20 0.38

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
SCHEMBL3927380 0.91 CYP2D6 (0.45) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4034055 0.88 L3MBTL1 (0.45) KMT2AMEN1GAAHTTTSHR
SCHEMBL4035567 0.88 LMNA (0.48) KMT2AMEN1GAAHTTTSHR
SCHEMBL3925883 0.84 CXCR3 (0.39) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL3916725 0.84 KMT2A (0.40) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4032408 0.84 ALDH1A1 (0.52) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4041475 0.83 MMP2 (0.39) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4037038 0.83 SMN1; SMN2 (0.41) KMT2AGAAHTTSMN1; SMN2MAPT
SCHEMBL4041453 0.82 MEN1 (0.42) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL3915453 0.82 HSD11B1 (0.48) KMT2AMEN1GAAHTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed