SCHEMBL13680942

SCHEMBL13680942

NC(=O)Oc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 6/20 0.43
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 8/20 0.42
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13680957 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680941 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680939 0.84 MAPT (0.47) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680945 0.83 MEN1 (0.52) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680929 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680938 0.80 MEN1 (0.49) KDM4EMAPTLMNATP53HTT
SCHEMBL13680943 0.80 RAB9A (0.48) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13681044 0.80 MAPT (0.41) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680937 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680931 0.79 SHMT2 (0.56) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed