SCHEMBL13634675

SCHEMBL13634675

O=C(Nc1cnccc1C(=O)NC[C@H]1CCCO1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40

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
SCHEMBL13634611 0.87 POLB (0.42) MAPTPOLBKDM4ELMNACYP1A2
SCHEMBL13634610 0.87 POLB (0.42) MAPTPOLBKDM4ELMNACYP1A2
SCHEMBL13638901 0.86 KMT2A (0.42) MAPTPOLBKDM4ELMNACYP1A2
SCHEMBL13638986 0.86 KMT2A (0.42) MAPTPOLBKDM4ELMNACYP1A2
SCHEMBL13634500 0.86 GPR6 (0.42) PDE10ACYP2C9CYP2C19CNR1
SCHEMBL13638762 0.85 PDE10A (0.40) PDE10AMAPTKDM4EALDH1A1HPGD
SCHEMBL13634790 0.84 PIM1 (0.41) PDE10ACNR1
SCHEMBL13634542 0.84 POLB (0.44) MAPTPOLBKDM4ELMNACYP1A2
SCHEMBL13634801 0.83 CNR1 (0.46) MAPTCYP2C9CYP2C19CNR1
SCHEMBL13634507 0.82 CNR2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19NAMPT

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