SCHEMBL30749500

SCHEMBL30749500

CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)Cl

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 6/20 0.61
ALDH1A1 P00352 3/20 0.60
FFAR1 O14842 1/20 0.58
LIPE Q05469 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.51
XBP1 P17861 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9449585 1.00 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
SCHEMBL9363159 1.00 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Hydrochloric Acid SCHEMBL9362484 0.99 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
SCHEMBL30749493 0.91 RAB9A (0.64) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
SCHEMBL29209318 0.91 RAB9A (0.64) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Haloxyfop-R-Methyl SCHEMBL119996 0.91 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Haloxyfop SCHEMBL3675562 0.91 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Haloxyfop SCHEMBL29792114 0.91 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Haloxyfop SCHEMBL33627 0.91 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1LIPE
Haloxyfop-R-Methyl SCHEMBL29730427 0.91 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1LIPE

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-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed