SCHEMBL10565321

SCHEMBL10565321

COCCON(C(C)=O)c1c([N+](=O)[O-])cnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ PKM P14618 4/20 0.37
▸ VCAM1 P19320 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ OPRK1 P41145 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
SCHEMBL10563670 0.90 MEN1 (0.36) MAPK1VCAM1ALDH1A1MEN1KMT2A
SCHEMBL10561082 0.85 VCAM1 (0.31) VCAM1ALDH1A1
SCHEMBL10566352 0.84 VCAM1 (0.31) VCAM1
SCHEMBL10565218 0.80 — —
SCHEMBL10562688 0.77 — —
SCHEMBL10565318 0.73 PKM (0.43) MAPK1PKMALDH1A1MEN1KMT2A
SCHEMBL10662209 0.73 PKM (0.39) MAPK1PKMALDH1A1MEN1KMT2A
SCHEMBL10623535 0.71 PKM (0.47) MAPK1PKMALDH1A1MEN1KMT2A
SCHEMBL9526617 0.69 PKM (0.47) MAPK1PKMVCAM1ALDH1A1MEN1
SCHEMBL9526634 0.69 PKM (0.49) MAPK1PKMVCAM1ALDH1A1MEN1

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 disclosed
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