SCHEMBL30144549

SCHEMBL30144549

O=C(O)c1cc(NCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.42
SERPINE1 P05121 3/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH3A1 P30838 1/20 0.39
AR P10275 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL580364 1.00 DTYMK (0.42) DTYMKSERPINE1AKR1B1AKR1C4AKR1C3
SCHEMBL586740 0.90 DTYMK (0.48) DTYMKALDH1A1MAPTPOLBMEN1
SCHEMBL18936887 0.85 APP (0.39) SERPINE1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL3950613 0.83 EGFR (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL27545640 0.83 GAA (0.42) SERPINE1ALDH1A1MAPTTDP1AR
SCHEMBL580229 0.83 PPARA (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL580270 0.82 KDM4E (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3996778 0.82 PPARA (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL3996092 0.82 PPARA (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL581497 0.82 PPARA (0.40) ALDH1A1MAPTTDP1LMNAHTT

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
CN-115515573-A Compositions and methods for treating reperfusion injury or bleeding following recanalization GNT制药有限公司 2022-12-23 CN claimed
EP-4117648-A1 COMPOSITIONS AND METHODS FOR TREATING REPERFUSION INJURY OR HEMORRHAGE AFTER RECANALIZATION THERAPY GNT Pharma Co., Ltd (KR) 2023-01-18 EP disclosed
CN-115515573-A Compositions and methods for treating reperfusion injury or bleeding following recanalization GNT制药有限公司 2022-12-23 CN disclosed