SCHEMBL13634890

SCHEMBL13634890

CC(C)NC(=O)c1ccccc1NC(=O)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
PKM P14618 1/20 0.36
GPR6 P46095 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
FGFR1 P11362 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL13270432 0.93 LMNA (0.36) ALDH1A1LMNAKMT2APKMGPR6
SCHEMBL13634505 0.92 PIM1 (0.35) IRAK4GPR6FGFR1
SCHEMBL13634860 0.90 POLB (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL13270803 0.90 HCAR2 (0.40) ALDH1A1KMT2AIRAK4GPR6SMN1; SMN2
SCHEMBL13634787 0.90 HCAR2 (0.40) ALDH1A1KMT2AIRAK4GPR6SMN1; SMN2
SCHEMBL13634726 0.88 GPR6 (0.38) ALDH1A1LMNAKMT2AIRAK4GPR6
SCHEMBL13634625 0.87 MEN1 (0.40) ALDH1A1KMT2AIRAK4PKMGPR6
SCHEMBL13634544 0.87 MEN1 (0.40) ALDH1A1KMT2AIRAK4PKMGPR6
SCHEMBL13634553 0.86 BCL3 (0.36) ALDH1A1LMNAKMT2AIRAK4PKM
SCHEMBL13634745 0.86 BCL3 (0.36) ALDH1A1LMNAKMT2AIRAK4PKM

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed