SCHEMBL13634835

SCHEMBL13634835

O=C(Nc1ccncc1C(=O)NC1CCCC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PAICS P22234 1/20 0.37
GPR6 P46095 3/20 0.36
TYK2 P29597 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACKR3 P25106 2/20 0.35

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
SCHEMBL13634798 0.94 PIM1 (0.48) PIM1MEN1KMT2APAICSGPR6
SCHEMBL13634676 0.87 GPR6 (0.42) PIM1CYP2C9CYP2C19PAICSGPR6
SCHEMBL13634801 0.86 CNR1 (0.46) PIM1CYP2C9CYP2C19PAICSGPR6
SCHEMBL13634596 0.86 GPR6 (0.38) PIM1CYP2C19PAICSGPR6ALDH1A1
SCHEMBL13634635 0.86 PIM1 (0.45) PIM1GPR6ALDH1A1
SCHEMBL13638871 0.85 TGFBR1 (0.36) PIM1CYP2C9CYP2C19PAICSGPR6
SCHEMBL13634580 0.85 GPR6 (0.36) PAICSGPR6
SCHEMBL13634512 0.85 SCD (0.39) PIM1CYP2C9CYP2C19PAICSGPR6
SCHEMBL13634508 0.85 ALDH1A1 (0.41) PAICSGPR6ALDH1A1
SCHEMBL13634571 0.85 GPR6 (0.34) PIM1PAICSGPR6CNR1CNR2

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