SCHEMBL1685306

SCHEMBL1685306

Bc1cnc(N2CCC(Cc3ccccc3)(C(=O)OCC)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL1282886 0.90 LMNA (0.56) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL16864106 0.80 LMNA (0.72) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL12946592 0.80 SMN1; SMN2 (0.71) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL13757095 0.78 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL969926 0.78 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17535986 0.78 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4864670 0.77 L3MBTL1 (0.77) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL31382055 0.77 KMT2A (0.55) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6627628 0.76 KDM4E (0.64) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3718479 0.76 KDM4E (0.64) LMNAKMT2AMEN1ALDH1A1SMN1; 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
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed