SCHEMBL30453943

SCHEMBL30453943

Nc1ncc(-c2cc3ccccc3[nH]2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.60
TBK1 Q9UHD2 1/20 0.44
MPO P05164 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL487786 1.00 MET (0.60) METTBK1MPONPC1RAB9A
SCHEMBL6425489 0.80 CYP19A1 (0.47) TBK1NPC1RAB9AKDM4EMAPT
SCHEMBL487907 0.80 MET (0.81) METMPOPRKDCMAP4K3CSF1R
SCHEMBL488040 0.79 MET (0.65) METTBK1MPOMEN1KMT2A
Water SCHEMBL28121971 0.78 MET (0.79) METMPOPRKDCMAP4K3CSF1R
SCHEMBL487767 0.77 MET (0.65) METMPONPC1CYP2C9
SCHEMBL487777 0.76 MET (0.83) METMPOPRKDCMAP4K3CSF1R
SCHEMBL27650107 0.76 MET (0.60) METMPOPRKDCMAP4K3CSF1R
SCHEMBL488238 0.75 MET (0.66) METMPONPC1RAB9AMAPT
SCHEMBL30453970 0.75 MET (0.66) METMPONPC1RAB9AMAPT

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