SCHEMBL7572953

SCHEMBL7572953

COC(=O)c1ccccc1Nc1c(C)cc(C)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 6/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 3/20 0.44
METTL3 Q86U44 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.43
MAPK10 P53779 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDC25B P30305 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK8 P45983 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
SCHEMBL20419769 0.88 PTGS2 (0.62) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL7573522 0.80 PTGS2 (0.53) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL7025322 0.78 MAPT (0.61) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL20419774 0.74 RAPGEF4 (0.54) PTGS2
SCHEMBL16656521 0.74 PTGS2 (0.66) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL6808925 0.74 PTGS2 (0.62) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL19065779 0.73 MAPT (0.79) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL20419768 0.73 FTO (0.65) PTGS2MAPTKMT2AHSD17B10METTL3
SCHEMBL17145917 0.73 MAPT (0.67) PTGS2MAPTALOX15KDM4EGLA
SCHEMBL30294456 0.73 MAPT (0.67) PTGS2MAPTALOX15KDM4EGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed