SCHEMBL29328482

SCHEMBL29328482

O=CCCCn1cnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 4/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.56
HTT P42858 5/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
STAT3 P40763 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51

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
SCHEMBL4070365 0.90 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL3161153 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30294105 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814242 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL28577879 0.84 TDP1 (0.66) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL6849665 0.83 TDP1 (0.60) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL5913587 0.83 TDP1 (0.75) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814241 0.83 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
Ammonia Solution, Strong SCHEMBL7100443 0.83 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL2331250 0.83 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15

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
EP-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed