SCHEMBL21451609

SCHEMBL21451609

CCCC/C=C(\CCCC)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3306009 0.86 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1POLB
SCHEMBL3306000 0.86 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1POLB
SCHEMBL3309044 0.85 MEN1 (0.47) L3MBTL1MEN1KMT2ATDP1POLB
SCHEMBL3309052 0.85 MEN1 (0.47) L3MBTL1MEN1KMT2ATDP1POLB
SCHEMBL20531487 0.84 TERT (0.46) L3MBTL1MEN1KMT2APOLBMAPT
SCHEMBL10782104 0.77 HTT (0.41) L3MBTL1MEN1KMT2APOLBLMNA
SCHEMBL10782101 0.77 HTT (0.41) L3MBTL1MEN1KMT2APOLBLMNA
SCHEMBL3310790 0.74 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL3310797 0.74 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL3694429 0.73 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ATDP1POLB

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-2019192163-A1 PREPARATION AND APPLICATION OF A SMART SUPRAMOLECULAR VESICLE FUNCTIONALIZED BY NEAR-INFRARED DYE 南京邮电大学 2019-10-10 WO disclosed