SCHEMBL13634787

SCHEMBL13634787

O=C(Nc1ccccc1C(=O)O)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.40
IRAK4 Q9NWZ3 5/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.35
FGFR1 P11362 1/20 0.35
MAPK8 P45983 1/20 0.35
GPR6 P46095 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
SCHEMBL13270803 1.00 HCAR2 (0.40) HCAR2IRAK4MEN1ALDH1A1KMT2A
SCHEMBL13634860 0.92 POLB (0.43) ALDH1A1KMT2ASMN1; SMN2TP53CYP1A2
SCHEMBL13634770 0.91 PIM1 (0.36) HCAR2IRAK4CYP2C9GPR6
SCHEMBL13634890 0.90 ALDH1A1 (0.37) IRAK4ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL13634544 0.88 MEN1 (0.40) IRAK4MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13634726 0.88 GPR6 (0.38) IRAK4MEN1ALDH1A1KMT2AHPGD
SCHEMBL13634625 0.88 MEN1 (0.40) IRAK4MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13634553 0.88 BCL3 (0.36) IRAK4MEN1ALDH1A1KMT2AFGFR1
SCHEMBL13634745 0.88 BCL3 (0.36) IRAK4MEN1ALDH1A1KMT2AFGFR1
SCHEMBL13634630 0.87 GPR6 (0.40) IRAK4MEN1KMT2AGPR6

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