SCHEMBL29102141

SCHEMBL29102141

NNc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
IDO1 P14902 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA14 Q9ULX7 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL132983 0.83 LMNA (0.60) LMNATDP1CA2CA4CA5A
SCHEMBL5439069 0.83 LMNA (0.60) LMNATDP1CA2CA4CA5A
SCHEMBL5436616 0.83 LMNA (0.60) LMNATDP1CA2CA4CA5A
Triphenylphosphine Oxide SCHEMBL513223 0.80 CA2 (0.58) LMNATDP1CA2CA4CA5A
Triphenylphosphine Oxide SCHEMBL3949 0.80 CA2 (0.58) LMNATDP1CA2CA4CA5A
SCHEMBL9927206 0.78 LMNA (0.56) LMNATDP1CA2CA4CA5A
SCHEMBL4774848 0.78 LMNA (0.56) LMNATDP1CA2CA4CA5A
SCHEMBL5444731 0.78 LMNA (0.56) LMNATDP1CA2CA4CA5A
SCHEMBL22174892 0.78 LMNA (0.56) LMNATDP1CA2CA4CA5A
SCHEMBL23098268 0.77 LMNA (0.57) LMNATDP1PTGS2CA2CA4

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
CN-117024480-A P-hydroxyphenylhydrazine compound phosphide and method for preparing Ang1-7 peptide compound assisted by same 西北工业大学 2023-11-10 CN disclosed