SCHEMBL28965486

SCHEMBL28965486

O=C(O)c1cc(F)ccc1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 4/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 4/20 0.51
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
GFER P55789 1/20 0.49
YWHAG P61981 1/20 0.49
KMT2A Q03164 1/20 0.49
KEAP1 Q14145 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
IP6K1 Q92551 1/20 0.45

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
SCHEMBL29930952 0.98 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL23611740 0.98 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL20141454 0.85 LMNA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL17478873 0.85 GAA (0.65) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL29239530 0.85 GAA (0.46) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL29805092 0.85 LMNA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL28965421 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL3825337 0.85 GAA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL3828922 0.84 KDM4E (0.46) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL28965451 0.81 KDM4E (0.56) ALDH1A1SMN1; SMN2GAAHTTKDM4E

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-115745874-A Preparation method of o-pyrrolidinyl benzamide compound 南华大学附属第一医院 2023-03-07 CN disclosed