SCHEMBL17635560

SCHEMBL17635560

CC(C)=C/C=C(\C)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ABL2 P42684 1/20 0.35
▸ CA5A P35218 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL19230416 0.81 FBP1 (0.43) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL10243472 0.76 — —
SCHEMBL13686352 0.75 FBP1 (0.35) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL14625571 0.75 FBP1 (0.35) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL18782980 0.75 FBP1 (0.39) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL16348844 0.75 FBP1 (0.35) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL12116913 0.74 — —
SCHEMBL5359120 0.73 — —
SCHEMBL8623453 0.73 — —
SCHEMBL2757858 0.73 — —

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-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 — — EP disclosed
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