SCHEMBL3892014

SCHEMBL3892014

Cc1cc2cccc(C)n2c1C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 7/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 4/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FNTA P49354 2/20 0.33

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
SCHEMBL4467335 0.87 L3MBTL1 (0.38) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL1645957 0.77 GAA (0.40) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL1520638 0.73 L3MBTL1 (0.67) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL4440012 0.70 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2L3MBTL1HTTPOLB
SCHEMBL29142660 0.68 KDM4E (0.38) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL1646251 0.66 L3MBTL1 (0.50) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL3883710 0.66 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL1645505 0.64 SMN1; SMN2 (0.39) KDM4ERAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL17397156 0.63 KDM4E (0.35) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL31465684 0.61 L3MBTL1 (0.47) KDM4ERAB9AL3MBTL1HTTALDH1A1

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-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP claimed