SCHEMBL31397883

SCHEMBL31397883

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.59
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ PDK1 Q15118 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL31397882 1.00 VCAM1 (0.59) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8684515 0.86 VCAM1 (0.62) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9196606 0.84 VCAM1 (0.68) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL28443421 0.83 LMNA (0.61) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL31397865 0.83 PDK1 (0.47) VCAM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL31397875 0.83 PDK1 (0.47) ALDH1A1MAPTLMNAPDK1CYP2D6
SCHEMBL31397867 0.82 VCAM1 (0.66) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3440894 0.81 VCAM1 (0.64) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL31397862 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL31397887 0.80 PDK1 (0.70) ALDH1A1LMNAMEN1KMT2APDK1

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-119431326-A Pimobendan Synthesis method of pill 辽宁孚音生物科技有限公司 2025-02-14 — — CN disclosed
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
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