SCHEMBL10522121

SCHEMBL10522121

O=C1N2CCCCN1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCR6 P51684 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DAO P14920 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TYMP P19971 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4C Q9H3R0 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL9934710 0.96 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAHSP90AA1CCR6
SCHEMBL15803244 0.93 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAHSP90AA1CCR6
SCHEMBL14551075 0.85 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAHSP90AA1CCR6
SCHEMBL10349776 0.84
SCHEMBL8064202 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAHSP90AA1CCR6
SCHEMBL10797180 0.69 GPR55 (0.39) SMN1; SMN2ALDH1A1LMNAHSP90AA1CCR6
SCHEMBL9409025 0.69
SCHEMBL10446742 0.65 APAF1 (0.39) SMN1; SMN2ALDH1A1LMNATDP1DAO
SCHEMBL3749456 0.65 MAPT (0.57) ALDH1A1LMNAHSP90AA1CCR6CACNA1B
SCHEMBL5709647 0.61

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
JP-1289881-A None JP disclosed
JP-H01289881-A MARKING INK FOR WRITING BOARD SHION KAGAKU KOGYO KK 1989-11-21 JP disclosed