SCHEMBL6679445

SCHEMBL6679445

COc1ccc2c(C(F)(F)F)c([N+](=O)[O-])c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
P2RX4 Q99571 1/20 0.40
SRC P12931 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
TP53 P04637 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6679443 0.83 TP53 (0.51) KMT2AP2RX4SRCPRKACAPRKACG
SCHEMBL6678046 0.79 RAB9A (0.37) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7981786 0.73 SRC (0.56) KMT2AP2RX4SRCPRKACAPRKACG
SCHEMBL6675265 0.68 CYP19A1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL7981572 0.68 NOX4 (0.68) KMT2AP2RX4SRCPRKACAPRKACG
SCHEMBL7980281 0.66 SRC (0.52) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL6677069 0.64 CYP19A1 (0.50) TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL6678043 0.63 LMNA (0.39) KMT2ATP53MEN1LMNAALDH1A1
SCHEMBL11445232 0.63 KMT2A (0.53) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL4595405 0.61 KMT2A (0.59) KMT2AP2RX4SRCPRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181341-B1 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2004-10-27 EP disclosed
EP-1181341-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF Uray, Georg (AT) 2002-02-27 EP disclosed
WO-2000066680-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2000-11-09 WO disclosed