SCHEMBL9806492

SCHEMBL9806492

COC(=O)c1ccccc1Nc1cccc(CO)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 5/20 0.51
GLA P06280 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 1/20 0.50
CDC25B P30305 5/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7025322 0.87 MAPT (0.61) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL9806587 0.86 MAPT (0.51) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL9806643 0.84 PTGS2 (0.49) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL16955180 0.84 LMNA (0.49) MAPTKDM4EGLAMAPK8MAPK9
SCHEMBL9806505 0.83 PTGS2 (0.48) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL9806498 0.80 PTGS2 (0.46) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL19065779 0.80 MAPT (0.79) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL9806503 0.79 CDC25B (0.47) MAPTALOX15PTGS2KDM4EMAPK8
SCHEMBL9806500 0.77 MAPT (0.52) MAPTALOX15PTGS2KDM4EGLA
SCHEMBL2093835 0.77 ALDH1A1 (0.64) MAPTALOX15KDM4EGLAMAPK8

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
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed