SCHEMBL31397879

SCHEMBL31397879

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.50
▸ ITGB1 P05556 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HCAR3 P49019 3/20 0.47
▸ CLPP Q16740 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ VCAM1 P19320 1/20 0.45
▸ TTR P02766 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL4302375 0.88 PDK1 (0.52) PDK1ITGB1ITGA5ALDH1A1HIF1A
SCHEMBL31397878 0.85 PDK1 (0.57) PDK1ITGB1ITGA5ALDH1A1HIF1A
SCHEMBL9956838 0.83 TSHR (0.64) PDK1ALDH1A1HCAR3SMN1; SMN2TSHR
SCHEMBL31397894 0.83 PDK1 (0.51) PDK1ALDH1A1HCAR3VCAM1TSHR
SCHEMBL3440935 0.82 LMNA (0.62) PDK1ALDH1A1HCAR3TSHRMEN1
SCHEMBL3440894 0.82 VCAM1 (0.64) PDK1ALDH1A1SMN1; SMN2VCAM1MEN1
SCHEMBL31397865 0.81 PDK1 (0.47) PDK1ITGB1ITGA5ALDH1A1HIF1A
SCHEMBL31397866 0.79 PDK1 (0.58) PDK1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL9157 0.79 ITGB1 (0.57) ITGB1ITGA5ALDH1A1HIF1ASMN1; SMN2
SCHEMBL29721575 0.79 ITGB1 (0.57) ITGB1ITGA5ALDH1A1HIF1ASMN1; SMN2

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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