SCHEMBL7568046

SCHEMBL7568046

COC(=O)c1ccccc1Nc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.54
CFTR P13569 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL26930977 0.88 TAS2R14 (0.48) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL6141454 0.82 CFTR (0.60) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL7592514 0.82 TAS2R14 (0.70) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL7029629 0.81 MAPT (0.61) CFTRMAPTALOX15KDM4EPOLB
SCHEMBL7568048 0.81 MAPT (0.51) MAPTALOX15KDM4EPOLBATM
SCHEMBL26930895 0.81 CFTR (0.48) TAS2R14CFTRMAPTAKR1C3AKR1C2
SCHEMBL7565893 0.81 TAS2R14 (0.54) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL6141350 0.80 CFTR (0.64) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL6141404 0.79 AKR1C3 (0.77) TAS2R14CFTRMAPTALOX15AKR1B1
SCHEMBL26931075 0.78 CFTR (0.48) TAS2R14CFTRMAPTRXFP1KDM4E

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