SCHEMBL11757129

SCHEMBL11757129

O=CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.51
F2 P00734 1/20 0.51
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL10665310 0.82 CYP1A2 (0.60) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL28281433 0.82 MASP2 (0.56) MASP2F2MAPTSMN1; SMN2ALDH1A1
SCHEMBL19175209 0.80 MASP2 (0.51) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL3451299 0.80 MASP2 (0.51) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL3453162 0.80 MASP2 (0.51) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL10980033 0.80 MAPT (0.61) MASP2F2MAPTSMN1; SMN2ALDH1A1
SCHEMBL28663076 0.80 CYP1A2 (0.41) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL10897086 0.79 MASP2 (0.50) MASP2F2MAPTSMN1; SMN2NPC1
SCHEMBL10352817 0.79 MASP2 (0.50) MASP2F2MAPTALDH1A1CYP3A4
SCHEMBL10352026 0.79 LMNA (0.53) MASP2F2MAPTSMN1; SMN2NPC1

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
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed