SCHEMBL21026355

SCHEMBL21026355

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL2 P42684 1/20 0.31

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
SCHEMBL10243472 0.81 — —
SCHEMBL19324550 0.71 TGM2 (0.31) —
SCHEMBL23436548 0.71 FBP1 (0.35) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL16208443 0.70 — —
SCHEMBL15354554 0.70 — —
SCHEMBL13332172 0.70 — —
SCHEMBL16883024 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18359612 0.68 — —
SCHEMBL18708253 0.68 — —
SCHEMBL18849050 0.68 — —

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
EP-3489356-A1 CATALYST AND USE THEREOF Johnson Matthey Public Limited Company (GB) 2019-05-29 — — EP disclosed
EP-3489355-A1 CATALYST AND USE THEREOF Johnson Matthey Public Limited Company (GB) 2019-05-29 — — EP disclosed
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