SCHEMBL4041453

SCHEMBL4041453

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.38
MMP2 P08253 1/20 0.37
CXCR3 P49682 1/20 0.37
CNR1 P21554 1/20 0.37

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 0.87 CYP2D6 (0.45) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4032408 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3927490 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4035567 0.82 LMNA (0.48) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4041277 0.82 KMT2A (0.41) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4037768 0.81 LMNA (0.54) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3919576 0.81 MMP2 (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4041414 0.80 KMT2A (0.46) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4041475 0.80 MMP2 (0.39) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL4038204 0.80 EPHX2 (0.47) MEN1KMT2AALDH1A1L3MBTL1

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