SCHEMBL28514252

SCHEMBL28514252

O=C(NN1CCCCC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.39
LIPE Q05469 2/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MLYCD O95822 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
SCHEMBL3557996 0.98 L3MBTL1 (0.44) L3MBTL1HTTCA2LIPEPOLB
Hydrochloric Acid SCHEMBL7939486 0.95 L3MBTL1 (0.43) L3MBTL1HTTCA2LIPEPOLB
SCHEMBL8723420 0.93 L3MBTL1 (0.41) L3MBTL1HTTCA2LIPEPOLB
SCHEMBL8861717 0.83 L3MBTL1 (0.43) L3MBTL1HTTCA2LIPEALDH1A1
SCHEMBL3466118 0.78 GNAI3 (0.41) L3MBTL1CA2POLBALDH1A1KDM4E
SCHEMBL7837568 0.77 L3MBTL1 (0.51) L3MBTL1HTTLIPEPOLBLMNA
SCHEMBL14991991 0.75 CA2 (0.38) CA2ALDH1A1KDM4EHPGDRECQL
SCHEMBL12265798 0.74 L3MBTL1 (0.49) L3MBTL1HTTCA2LIPEALDH1A1
SCHEMBL28206820 0.74 L3MBTL1 (0.33) L3MBTL1
SCHEMBL28282768 0.74 LIPE (0.41) L3MBTL1HTTLIPEPOLBLMNA

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
CN-107406458-B Antiparasitic compounds 爱维斯塔制药解决方案有限公司 2021-01-05 CN disclosed