SCHEMBL10550247

SCHEMBL10550247

Nc1ccccc1C(=O)NCCN1CCC(Cc2nc3ccccc3n2Cc2ccco2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
GAA P10253 5/20 0.51
POLB P06746 4/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
RUNX1 Q01196 1/20 0.51
MCL1 Q07820 1/20 0.51
CBFB Q13951 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43

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
SCHEMBL10547247 0.95 KMT2A (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10549493 0.89 MAPT (0.50) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9535357 0.89 KMT2A (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9535185 0.89 MAPT (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10550741 0.87 KMT2A (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10550732 0.86 ALDH1A1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10549281 0.86 SLC6A9 (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9742527 0.86 MEN1 (0.51) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9535187 0.85 ALDH1A1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10547215 0.85 POLB (0.49) POLBSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed