SCHEMBL9535185

SCHEMBL9535185

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccco2)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
RUNX1 Q01196 1/20 0.49
MCL1 Q07820 1/20 0.49
CBFB Q13951 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC6A2 P23975 3/20 0.48

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
SCHEMBL9536165 0.94 CCR3 (0.56) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL10550247 0.89 MAPT (0.51) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9536826 0.89 TP53 (0.51) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9535357 0.87 KMT2A (0.48) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9535187 0.86 ALDH1A1 (0.45) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL10550741 0.85 KMT2A (0.44) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9536175 0.85 SLC6A2 (0.48) MAPTMEN1KMT2AALDH1A1SLC6A2
SCHEMBL10550732 0.85 ALDH1A1 (0.45) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9536186 0.84 MAPT (0.56) MAPTPOLBGAASLC6A2SLC6A4
SCHEMBL9537470 0.84 KDM4E (0.50) POLBKDM4EUSP2ALDH1A1GAA

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