SCHEMBL30194977

SCHEMBL30194977

Cn1ncc(Br)c1C(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ POLB P06746 1/20 0.44
▸ S1PR3 Q99500 8/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ S1PR1 P21453 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL29227813 0.79 S1PR3 (0.39) LMNAS1PR3GAAKDM4EMEN1
SCHEMBL30195140 0.74 LMNA (0.55) LMNAPOLBGAAMEN1KMT2A
SCHEMBL24553896 0.72 HTT (0.50) LMNAPOLBGAAKMT2ASMN1; SMN2
SCHEMBL29227807 0.71 S1PR3 (0.48) LMNAS1PR3GAAKDM4EMEN1
SCHEMBL30195080 0.68 LMNA (0.48) LMNAPOLBGAASMN1; SMN2HTT
SCHEMBL3724833 0.68 HTT (0.49) LMNAPOLBGAASMN1; SMN2HTT
SCHEMBL23087297 0.66 HTT (0.48) LMNAPOLBGAASMN1; SMN2HTT
SCHEMBL22256953 0.66 SLCO1B1 (0.45) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3685143 0.65 KAT2B (0.34) LMNAPOLB
SCHEMBL9542160 0.64 MEN1 (0.71) LMNAS1PR3GAAKDM4EMEN1

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-115703806-B Phosphine ligand of pyrazole-amide framework, and preparation method and application thereof 香港理工大学深圳研究院 2024-05-14 — — CN disclosed
CN-115703806-A Phosphine ligand with pyrazole-amide skeleton and preparation method and application thereof 香港理工大学深圳研究院 2023-02-17 — — CN disclosed
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