Sugi Predict

Sugi Predict / Compounds / SCHEMBL13634631

SCHEMBL13634631

SCHEMBL13634631

O=C(Nc1ccccc1C(=O)N[C@H]1CCOC1)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.40
▸ GRM4 Q14833 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMO Q99835 1/20 0.35
▸ NTRK1 P04629 9/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ PIM1 P11309 2/20 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
SCHEMBL13634630 1.00 GPR6 (0.40) GPR6GRM4IRAK4MEN1KMT2A
SCHEMBL13634544 0.95 MEN1 (0.40) GPR6GRM4IRAK4MEN1KMT2A
SCHEMBL13634625 0.95 MEN1 (0.40) GPR6GRM4IRAK4MEN1KMT2A
SCHEMBL13634623 0.92 PIM1 (0.44) GPR6GRM4IRAK4SMONAMPT
SCHEMBL13634837 0.88 PIM1 (0.40) GPR6GRM4IRAK4SMONTRK1
SCHEMBL13634622 0.88 PIM1 (0.48) GPR6IRAK4MEN1KMT2ASMO
SCHEMBL13270803 0.87 HCAR2 (0.40) GPR6IRAK4MEN1KMT2A
SCHEMBL13634787 0.87 HCAR2 (0.40) GPR6IRAK4MEN1KMT2A
SCHEMBL13634890 0.86 ALDH1A1 (0.37) GPR6GRM4IRAK4KMT2A
SCHEMBL13634860 0.85 POLB (0.43) KMT2A

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