SCHEMBL2226730

SCHEMBL2226730

Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 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
SCHEMBL2224490 0.84 LMNA (0.52) LMNAHSD17B10KDM4EMAPTMEN1
SCHEMBL2226727 0.81 TGM2 (0.64) LMNAHSD17B10KDM4EMAPT
SCHEMBL14490213 0.78 TGM2 (0.59) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL5436955 0.75 SMN1; SMN2 (0.52) LMNAMAPTPOLBSMN1; SMN2TSHR
SCHEMBL1156054 0.74 L3MBTL1 (0.65) LMNAMEN1MAPK1KMT2AALDH1A1
SCHEMBL15010193 0.73 L3MBTL1 (0.62) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3654102 0.72 P2RX7 (0.51) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL14501626 0.72 L3MBTL1 (0.65) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL12626344 0.71 EPHX2 (0.48) LMNAKDM4EMAPTKMT2AALDH1A1
SCHEMBL3133674 0.71 L3MBTL1 (0.52) MEN1MAPK1KMT2AALDH1A1POLB

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-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed