SCHEMBL30452546

SCHEMBL30452546

CCN(CC)Cc1c[nH]c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.44
CSF1R P07333 2/20 0.37
PIM1 P11309 6/20 0.36
PIM3 Q86V86 6/20 0.36
PIM2 Q9P1W9 6/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ICMT O60725 1/20 0.35
MET P08581 2/20 0.34
HTR2A P28223 2/20 0.33
HTR1D P28221 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL488920 1.00 MPO (0.44) MPOCSF1RPIM1PIM3PIM2
SCHEMBL27650232 0.83 MPO (0.44) MPOPIM1PIM3PIM2KDM4E
SCHEMBL488054 0.83 S1PR1 (0.41) MPOCSF1RKDM4EICMTMET
SCHEMBL30453085 0.83 S1PR1 (0.41) MPOCSF1RKDM4EICMTMET
SCHEMBL488471 0.82 S1PR1 (0.41) MPOCSF1RKDM4EICMTMET
SCHEMBL30453674 0.82 S1PR1 (0.41) MPOCSF1RKDM4EICMTMET
SCHEMBL30453800 0.81 LRRK2 (0.41) MPOCSF1RMETS1PR1
SCHEMBL488507 0.81 LRRK2 (0.41) MPOCSF1RMETS1PR1
SCHEMBL488448 0.80 CSF1R (0.37) MPOCSF1RKDM4EICMTMET
SCHEMBL30453037 0.80 CSF1R (0.37) MPOCSF1RKDM4EICMTMET

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