SCHEMBL13512953

SCHEMBL13512953

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(O)cc3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1430546 0.89 LMNA (0.69) LMNAL3MBTL1KMT2ATDP1CYP3A4
SCHEMBL1430495 0.86 L3MBTL1 (0.57) LMNAL3MBTL1KMT2ATDP1CYP3A4
SCHEMBL1429626 0.86 PRKAB2 (0.54) LMNAL3MBTL1KMT2ATDP1CYP3A4
SCHEMBL2835516 0.83 KMT2A (0.56) LMNAL3MBTL1KMT2ATDP1CYP3A4
SCHEMBL1429882 0.83 KMT2A (0.56) LMNAL3MBTL1KMT2ATDP1CYP3A4
SCHEMBL13512952 0.82 KMT2A (0.42) LMNAKMT2AMEN1
SCHEMBL1429810 0.80 MEN1 (0.52) LMNAL3MBTL1KMT2ATDP1ALDH1A1
SCHEMBL13373156 0.78 TDP1 (0.58) LMNAL3MBTL1KMT2ATDP1ALDH1A1
SCHEMBL13373158 0.78 LMNA (0.65) LMNAKMT2AALDH1A1MEN1GAA
SCHEMBL18031182 0.78 LMNA (0.68) LMNAL3MBTL1KMT2AALDH1A1MEN1

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
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed