SCHEMBL10565211

SCHEMBL10565211

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ NAMPT P43490 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ BRAF P15056 1/20 0.32
▸ PKM P14618 3/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ TEK Q02763 1/20 0.30

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 0.91 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL10561070 0.86 PKM (0.34) LMNAALDH1A1SMN1; SMN2AKT1HTT
SCHEMBL9585992 0.86 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL10565207 0.84 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL10669661 0.84 LMNA (0.40) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL10563657 0.84 THRB (0.38) ALDH1A1BRAFPKMTDP1
SCHEMBL10566340 0.84 PKM (0.33) LMNAALDH1A1SMN1; SMN2AKT1NAMPT
SCHEMBL9586872 0.83 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL9587691 0.83 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL10665048 0.81 SMN1; SMN2 (0.43) LMNAALDH1A1SMN1; SMN2HTT

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-4812165-A HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-03-14 — — US claimed
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