SCHEMBL9255100

SCHEMBL9255100

Cn1cc(-c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc1-c1ccc(CCC(=O)OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MASP2 O00187 2/20 0.34
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.33
NAMPT P43490 2/20 0.32
CSNK1D P48730 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KLK8 O60259 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32

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
SCHEMBL9255728 0.91 KDM4E (0.37) KDM4EHPGDMEN1GAAKMT2A
SCHEMBL9247334 0.88 PTGDR2 (0.40) CASP1MASP2SMN1; SMN2PTGDR2KLK8
SCHEMBL9253096 0.84 TDP1 (0.40) KDM4EHPGDMEN1GAAKMT2A
SCHEMBL9256883 0.83 KDM4E (0.36) KDM4EHPGDMEN1GAAKMT2A
SCHEMBL9281623 0.83 F10 (0.36) F2F10PLGL3MBTL1
SCHEMBL9256151 0.81 HPGD (0.35) HPGDNAMPTL3MBTL1
SCHEMBL9257842 0.81 HRH3 (0.34) HPGDGAAALDH1A1HDAC1L3MBTL1
SCHEMBL9255106 0.80 ALDH1A1 (0.36) KDM4EHPGDMEN1GAAKMT2A
SCHEMBL9257104 0.80 HRH3 (0.39) HPGDGAAALDH1A1HDAC1L3MBTL1
SCHEMBL7389689 0.79 L3MBTL1 (0.37) KDM4EHPGDMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed