SCHEMBL17875097

SCHEMBL17875097

O=Nc1cc([N+](=O)[O-])c(F)cc1OC(F)(F)C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.35
▸ MAPT P10636 6/20 0.35
▸ GPR174 Q9BXC1 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTT P42858 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MITF O75030 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL17875095 0.90 SMN1; SMN2 (0.41) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL15056865 0.87 GAA (0.48) GAAALDH1A1MAPTGPR174CYP1A2
SCHEMBL17875092 0.78 KMT2A (0.33) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL15075566 0.77 SMN1; SMN2 (0.46) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17875093 0.76 COMT (0.31) MAPTCYP3A4LMNAMEN1KMT2A
SCHEMBL15075518 0.75 ESPL1 (0.31) —
SCHEMBL9838538 0.67 GPR174 (0.45) GAAALDH1A1MAPTGPR174CYP1A2
SCHEMBL14413902 0.66 PDGFRB (0.42) ALDH1A1MAPTKDM4ERAB9AHTT
SCHEMBL15056851 0.64 KMT2A (0.36) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL19753291 0.62 TDP1 (0.43) ALDH1A1MAPTCYP1A2CYP3A4RAB9A

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-2885296-B1 PROCESS FOR MANUFACTURING BENZOXAZINONES BASF SE (DE) 2016-06-29 — — EP disclosed
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