SCHEMBL4303477

SCHEMBL4303477

CCCCCC(C)(C)Nc1nc(NC(C)(C)CCCCC)nc(NC(C)(C)CCCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
CACNA2D1 P54289 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 3/20 0.35
KCNH3 Q9ULD8 2/20 0.33
MEN1 O00255 2/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL9391104 0.91 LMNA (0.52) KMT2ANPSR1SMN1; SMN2LMNAMAPT
SCHEMBL11617315 0.87 CACNA2D1 (0.33) KMT2ACACNA2D1TLR8TLR7
SCHEMBL9861502 0.87 CACNA2D1 (0.33) KMT2ACACNA2D1NPSR1MEN1
SCHEMBL39223 0.87 KMT2A (0.47) KMT2ACACNA2D1SMN1; SMN2LMNAPDE4A
SCHEMBL10603018 0.87 TLR8 (0.38) CACNA2D1TLR8TLR7
SCHEMBL10444895 0.76 KMT2A (0.36) KMT2ASMN1; SMN2LMNAPDE4ACYP1A2
SCHEMBL16411475 0.74 SMN1; SMN2 (0.33) KMT2ANPSR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL21162636 0.74 TLR8 (0.37) CACNA2D1SMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL18027898 0.72 PDE4A (0.63) KMT2ANPSR1SMN1; SMN2LMNAMAPT
SCHEMBL16411406 0.72 AKT1 (0.35) NPSR1SMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed