SCHEMBL7025322

SCHEMBL7025322

COC(=O)c1ccccc1Nc1ccccc1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALOX15 P16050 1/20 0.61
KDM4E B2RXH2 5/20 0.58
GLA P06280 1/20 0.58
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPK10 P53779 2/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HTT P42858 1/20 0.52
GAA P10253 3/20 0.51
CDC25B P30305 3/20 0.50
LMNA P02545 2/20 0.50
CDC25A P30304 1/20 0.50
CDC25C P30307 1/20 0.50
PTGS2 P35354 1/20 0.49
HSD17B10 Q99714 4/20 0.49
TSHR P16473 3/20 0.48

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
SCHEMBL9806492 0.87 MAPT (0.54) MAPTALOX15KDM4EGLAPOLB
SCHEMBL19065779 0.86 MAPT (0.79) MAPTALOX15KDM4EGLAPOLB
SCHEMBL2093835 0.83 ALDH1A1 (0.64) MAPTALOX15KDM4EGLAPOLB
SCHEMBL7565893 0.81 TAS2R14 (0.54) MAPTALOX15KDM4EGLAPOLB
SCHEMBL7034926 0.80 MAPT (0.74) MAPTALOX15KDM4EGLAPOLB
SCHEMBL7568760 0.79 PTGS2 (0.49) MAPTALOX15KDM4EGLAPOLB
SCHEMBL30294456 0.78 MAPT (0.67) MAPTALOX15KDM4EGLAPOLB
SCHEMBL8128228 0.78 KDM4E (0.68) MAPTALOX15KDM4EGLAPOLB
SCHEMBL17145917 0.78 MAPT (0.67) MAPTALOX15KDM4EGLAPOLB
SCHEMBL7572953 0.78 PTGS2 (0.53) MAPTALOX15KDM4EGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934277-B1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LTD (GB) 2003-02-05 EP disclosed
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
US-6111109-A CYCLIZING A 2-(2-ALKYLOXYCARBONYLPHENYL)AMINO-)BENZALDEHYDE BY TREATING WITH A BORON TRIFLUORIDE; NEUTRALIZATION OF THE FORMED SALT; AMIDATION WITH AN 2-N,N-DIALKYLAMINOETHYLAMINE;ANTITUMOR AND -CARCINOGENIC XENOVA LIMITED (GB) 2000-08-29 US disclosed