SCHEMBL9535357

SCHEMBL9535357

CNc1ccccc1C(=O)NCCN1CCC(Cc2nc3ccccc3n2Cc2ccco2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 4/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
RUNX1 Q01196 1/20 0.48
MCL1 Q07820 1/20 0.48
CBFB Q13951 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL10550732 0.91 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9535075 0.91 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10550247 0.89 MAPT (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10550741 0.87 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9535185 0.87 MAPT (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9741883 0.86 GAA (0.48) KMT2AMEN1ALDH1A1KDM4EMAPT
Water SCHEMBL9739627 0.85 GAA (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9537486 0.85 POLB (0.48) POLBSLC6A2SLC6A4
SCHEMBL10547247 0.84 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9535187 0.82 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
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