SCHEMBL31397867

SCHEMBL31397867

CC(Cl)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.66
▸ PDK1 Q15118 3/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ HPGD P15428 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ RAF1 P04049 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL9196606 0.89 VCAM1 (0.68) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL3440894 0.86 VCAM1 (0.64) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL8684515 0.85 VCAM1 (0.62) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL31397878 0.83 PDK1 (0.57) VCAM1PDK1ALDH1A1MAPTLMNA
SCHEMBL31397883 0.82 VCAM1 (0.59) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL31397882 0.82 VCAM1 (0.59) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL2002281 0.81 VCAM1 (0.57) VCAM1PDK1ALDH1A1MAPTHPGD
SCHEMBL30811551 0.80 VCAM1 (0.74) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL239454 0.80 VCAM1 (0.74) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1258621 0.80 VCAM1 (1.00) VCAM1ALDH1A1MAPTHPGDLMNA

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
CN-119431250-A Pimo-benzol pill intermediate and synthesis method thereof 辽宁孚音生物科技有限公司 2025-02-14 — — CN disclosed
CN-119431326-A Pimobendan Synthesis method of pill 辽宁孚音生物科技有限公司 2025-02-14 — — CN disclosed
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