SCHEMBL586740

SCHEMBL586740

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
ALDH3A1 P30838 1/20 0.44
PPARA Q07869 2/20 0.42
STING1 Q86WV6 1/20 0.42
EGFR P00533 2/20 0.41
HTR6 P50406 1/20 0.41
NOX4 Q9NPH5 2/20 0.40
RGS12 O14924 1/20 0.40
LCK P06239 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL30144549 0.90 DTYMK (0.42) DTYMKMAPTALDH1A1POLBALDH3A1
SCHEMBL580364 0.90 DTYMK (0.42) DTYMKMAPTALDH1A1POLBALDH3A1
SCHEMBL499950 0.80 PPARA (0.63) MAPTALDH1A1PPARASTING1EGFR
SCHEMBL30473063 0.80 PPARA (0.63) MAPTALDH1A1PPARASTING1EGFR
SCHEMBL26343250 0.78 POLB (0.53) DTYMKMAPTALDH1A1POLBMEN1
SCHEMBL31665590 0.78 MAPT (0.58) DTYMKMAPTALDH1A1POLBTDP1
SCHEMBL9617447 0.78 HCAR3 (0.58) DTYMKMAPTALDH1A1POLBTDP1
SCHEMBL11130464 0.77 HCAR3 (0.58) DTYMKMAPTALDH1A1POLBTDP1
SCHEMBL9618348 0.76 HCAR3 (0.57) DTYMKMAPTALDH1A1POLBTDP1
SCHEMBL13802470 0.76 CYP1A2 (0.48) DTYMKMAPTALDH1A1POLBHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417972-A2 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING BURN INJURIES Neurotech Pharmaceuticals Co., Ltd. (KR) 2012-02-15 EP claimed