SCHEMBL9409019

SCHEMBL9409019

CC(C)(C=O)C(=O)c1cc(O)nc(-c2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 3/20 0.38
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KDM4A O75164 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL1560671 0.78 L3MBTL1 (0.53) KDM4ETDP1ADORA3KMT2AALOX15
SCHEMBL1443106 0.74 KDM4E (0.68) KDM4ETDP1ALOX15L3MBTL1KDM4A
SCHEMBL2722351 0.73 LMNA (0.51) KDM4EKMT2AL3MBTL1MAPK1CYP1A2
SCHEMBL9340705 0.73 KDM4E (0.52) KDM4ETDP1ADORA3KMT2AALOX15
SCHEMBL4340551 0.71 KDM4E (0.63) KDM4ETDP1ADORA3ALOX15L3MBTL1
SCHEMBL30081031 0.71 TRPV1 (0.54) KDM4ETDP1KMT2AALOX15L3MBTL1
SCHEMBL19690959 0.70 KDM4E (0.58) KDM4ETDP1ALOX15L3MBTL1MAPK1
SCHEMBL10157013 0.68 KDM4E (0.57) KDM4ETDP1ALOX15L3MBTL1MAPK1
SCHEMBL5026240 0.68 KDM4E (0.58) KDM4ETDP1ALOX15L3MBTL1MAPK1
SCHEMBL5479409 0.67 CYP1A2 (0.64) KDM4ETDP1KMT2AL3MBTL1CYP1A2

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-0588146-A2 Substituted pyridin derivatives and parasiticides containing them BASF Aktiengesellschaft (DE) 1994-03-23 EP claimed