SCHEMBL10367146

SCHEMBL10367146

CC1=C(C(=O)O)C(c2ccccc2)C(c2nc(CN3CCCCC3)no2)=C(C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CACNA1B Q00975 1/20 0.37
DHODH Q02127 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1F O60840 2/20 0.35
BCHE P06276 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35

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
SCHEMBL7319281 0.91 ADORA3 (0.47) ALDH1A1KDM4EHRH3KCNH2CACNA1F
SCHEMBL10366138 0.87 CACNA1F (0.41) CACNA1BDHODHHRH3KCNH2POLB
SCHEMBL10368230 0.87 ABCB1 (0.48) MEN1KMT2ALMNACACNA1BALDH1A1
SCHEMBL10368228 0.87 ABCB1 (0.48) MEN1KMT2ALMNACACNA1BALDH1A1
SCHEMBL10367338 0.85 ADORA3 (0.34) MEN1KMT2ALMNADHODHKDM4E
SCHEMBL7315909 0.79 ABCB1 (0.57) MEN1KMT2ALMNAHRH3KCNH2
SCHEMBL7313818 0.78 ADRA2A (0.45) KMT2ALMNAALDH1A1HRH3KCNH2
SCHEMBL10366377 0.76 DRD3 (0.46) CACNA1BKCNH2POLBMAPTCACNA1C
SCHEMBL10366379 0.76 DRD3 (0.46) CACNA1BKCNH2POLBMAPTCACNA1C
SCHEMBL10369237 0.74 MEN1 (0.43) MEN1KMT2ACACNA1BALDH1A1KDM4E

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-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed