SCHEMBL9806587

SCHEMBL9806587

COC(=O)c1ccccc1Nc1cccc(CNO)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 1/20 0.51
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
GLA P06280 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.44
CDC25B P30305 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
MT-CO2 P00403 1/20 0.43
METTL3 Q86U44 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9806643 0.87 PTGS2 (0.49) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL9806492 0.86 MAPT (0.54) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL9806533 0.85 MAPT (0.52) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL9806602 0.84 PTGS2 (0.67) MAPTALOX15PTGS2KMT2AGAA
SCHEMBL9806505 0.81 PTGS2 (0.48) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL9806498 0.78 PTGS2 (0.46) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL19065779 0.78 MAPT (0.79) MAPTALOX15PTGS2KMT2AKDM4E
SCHEMBL9806503 0.77 CDC25B (0.47) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL7025322 0.76 MAPT (0.61) MAPTALOX15PTGS2MAPK8MAPK9
SCHEMBL9806523 0.75 MAPT (0.50) MAPTALOX15PTGS2KMT2AKDM4E

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 claimed