SCHEMBL30453537

SCHEMBL30453537

CC(=O)N1CCN(Cc2c[nH]c3ccc(-c4cnc(N)c(OCc5c(F)ccc(F)c5Cl)n4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CSF1R P07333 2/20 0.36
MPO P05164 1/20 0.36
ICMT O60725 1/20 0.36
SOS1 Q07889 3/20 0.36
MAPK1 P28482 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK1 O14757 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL487928 1.00 MET (0.40) METPDCD1LG2CD274CSF1RMPO
SCHEMBL488054 0.89 S1PR1 (0.41) METCSF1RMPOICMTMAPK1
SCHEMBL30453085 0.89 S1PR1 (0.41) METCSF1RMPOICMTMAPK1
SCHEMBL30453674 0.89 S1PR1 (0.41) METCSF1RMPOICMTMAPK1
SCHEMBL488471 0.89 S1PR1 (0.41) METCSF1RMPOICMTMAPK1
SCHEMBL30452622 0.88 MET (0.48) METMPOICMTSOS1KMT2A
SCHEMBL487586 0.88 MET (0.48) METMPOICMTSOS1KMT2A
SCHEMBL488507 0.87 LRRK2 (0.41) METCSF1RMPOS1PR1HRH3
SCHEMBL30453800 0.87 LRRK2 (0.41) METCSF1RMPOS1PR1HRH3
SCHEMBL487783 0.86 CD274 (0.43) METPDCD1LG2CD274SOS1

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