SCHEMBL9585992

SCHEMBL9585992

CC(=O)OCC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ THRB P10828 4/20 0.34
▸ VDR P11473 1/20 0.34
▸ PKM P14618 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.32

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
SCHEMBL10672417 0.90 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL10669661 0.87 LMNA (0.40) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL10565211 0.86 LMNA (0.35) ALDH1A1LMNASMN1; SMN2PKMHTT
SCHEMBL9586872 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2THRBVDR
SCHEMBL9587691 0.86 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL9585983 0.85 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2MAPTTHRB
SCHEMBL10565207 0.85 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2PKMHTT
SCHEMBL10665048 0.84 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL10664616 0.83 RAB9A (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL10674159 0.83 PTGS1 (0.38) ALDH1A1LMNASMN1; SMN2PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262382-A Preemergent or postemengent herbicides FMC CORPORATION (US) 1993-11-16 — — US disclosed
US-5167691-A Pre- and postemergence FMC CORPORATION (US) 1992-12-01 — — US disclosed
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