SCHEMBL30452997

SCHEMBL30452997

Nc1ncc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.61
NR1H4 Q96RI1 3/20 0.51
MAP4K4 O95819 1/20 0.47
SRD5A2 P31213 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
MPO P05164 1/20 0.40
SRD5A1 P18405 1/20 0.39
SMAD3 P84022 1/20 0.39
CFD P00746 1/20 0.39

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
SCHEMBL488203 1.00 MET (0.61) METNR1H4MAP4K4SRD5A2KDM4E
SCHEMBL30452851 0.88 MET (0.56) METNR1H4KDM4EALDH1A1HPGD
SCHEMBL488122 0.88 MET (0.56) METNR1H4KDM4EALDH1A1HPGD
SCHEMBL487621 0.84 MET (0.52) MET
SCHEMBL30452497 0.84 MET (0.52) MET
SCHEMBL5484750 0.83 MET (0.58) METNR1H4
SCHEMBL487846 0.83 MET (0.50) MET
SCHEMBL30453573 0.83 MET (0.50) MET
SCHEMBL27650107 0.82 MET (0.60) METNR1H4MAP4K4MPO
SCHEMBL487484 0.82 MET (0.51) METKDM4EALDH1A1HSD17B10

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed