SCHEMBL6682273

SCHEMBL6682273

COc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.44
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 12/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.39
VEGFA P15692 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL6678542 0.82 NQO2 (0.65) NQO2CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL6676714 0.81 AR (0.50) NQO2CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL6682269 0.78 CA12 (0.48) ARKDM4EMAPTBLMTDP1
SCHEMBL24715739 0.78 NQO2 (0.64) NQO2CYP19A1ALDH1A1HPGDAR
SCHEMBL30275436 0.78 NQO2 (0.64) NQO2CYP19A1ALDH1A1HPGDAR
SCHEMBL6677205 0.75 AR (0.41) NQO2CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL12668034 0.73 NQO2 (0.41) NQO2CYP19A1ALDH1A1KDM4EMAPT
SCHEMBL9388313 0.72 NQO2 (0.43) NQO2CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL30626606 0.71 NQO2 (0.61) NQO2CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL24716655 0.71 NQO2 (0.61) NQO2CYP19A1ALDH1A1HPGDHSD17B10

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