SCHEMBL8558161

SCHEMBL8558161

COC(=O)c1ccccc1Nc1c(C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 6/20 0.60
FABP4 P15090 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
CLCN2 P51788 3/20 0.53
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
PTGS2 P35354 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
DHODH Q02127 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CXCR2 P25025 1/20 0.47
RBP4 P02753 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7566527 0.84 MAPT (0.48) TAS2R14FABP4MAPTALOX15CLCN2
SCHEMBL7568760 0.84 PTGS2 (0.49) TAS2R14FABP4MAPTALOX15CLCN2
SCHEMBL11178354 0.79 TAS2R14 (0.55) TAS2R14FABP4MAPTCLCN2DHODH
SCHEMBL7034926 0.78 MAPT (0.74) FABP4MAPTALOX15CLCN2AKR1C3
SCHEMBL45490 0.76 LMNA (0.59) MAPTALOX15KDM4EPOLBATM
SCHEMBL7592514 0.75 TAS2R14 (0.70) TAS2R14MAPTALOX15AKR1C3AKR1C2
SCHEMBL17672966 0.75 TAS2R14 (0.54) TAS2R14FABP4MAPTCLCN2AKR1C3
SCHEMBL1358523 0.75 TAS2R14 (0.75) TAS2R14FABP4CLCN2AKR1C3AKR1C2
SCHEMBL10536647 0.75 TAS2R14 (1.00) TAS2R14FABP4MAPTCLCN2AKR1C3
SCHEMBL30855351 0.75 TAS2R14 (1.00) TAS2R14FABP4MAPTCLCN2AKR1C3

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-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed