SCHEMBL9566740

SCHEMBL9566740

CCCCOCc1ccc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.54
CXCR1 P25024 12/20 0.54
P4HTM Q9NXG6 1/20 0.51
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL9566866 0.89 KDM4E (0.56) P4HTMLMNASTAT3SMN1; SMN2ALDH1A1
SCHEMBL9566751 0.88 NPC1 (0.52) P4HTMLMNASTAT3SMN1; SMN2ALDH1A1
SCHEMBL9566868 0.88 CXCR2 (0.60) CXCR2CXCR1P4HTMALDH1A1
SCHEMBL9566798 0.87 MAPT (0.60) P4HTMLMNASTAT3SMN1; SMN2ALDH1A1
SCHEMBL9566753 0.85 CXCR2 (0.54) CXCR2CXCR1P4HTMLMNAALDH1A1
SCHEMBL9566902 0.83 CXCR2 (0.62) CXCR2CXCR1P4HTMALDH1A1
SCHEMBL9566842 0.82 SENP7 (0.53) P4HTMLMNASMN1; SMN2ALDH1A1
SCHEMBL9566796 0.82 LMNA (0.56) P4HTMFAAHLMNASTAT3SMN1; SMN2
SCHEMBL9566786 0.81 CXCR2 (0.57) CXCR2CXCR1P4HTMALDH1A1
SCHEMBL9566779 0.81 TP53 (0.55) P4HTMLMNASMN1; SMN2ALDH1A1

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
EP-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed