SCHEMBL9566866

SCHEMBL9566866

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
P4HTM Q9NXG6 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
STAT3 P40763 1/20 0.49
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 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
SCHEMBL9566740 0.89 CXCR2 (0.54) P4HTMSMN1; SMN2LMNASTAT3ALDH1A1
SCHEMBL9566751 0.88 NPC1 (0.52) KDM4EP4HTMSMN1; SMN2LMNASTAT3
SCHEMBL9566769 0.88 KDM4E (0.57) KDM4EP4HTMSMN1; SMN2LMNARAB9A
SCHEMBL9566779 0.87 TP53 (0.55) P4HTMSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL9566798 0.87 MAPT (0.60) KDM4EP4HTMSMN1; SMN2LMNASTAT3
SCHEMBL9566851 0.83 P4HTM (0.58) KDM4EP4HTMSMN1; SMN2LMNARAB9A
SCHEMBL9566796 0.82 LMNA (0.56) KDM4EP4HTMSMN1; SMN2LMNASTAT3
SCHEMBL9566792 0.81 P4HTM (0.55) KDM4EP4HTMSMN1; SMN2LMNARAB9A
SCHEMBL9566848 0.81 P4HTM (0.55) KDM4EP4HTMSMN1; SMN2RAB9AALDH1A1
SCHEMBL9566817 0.80 TRPV1 (0.55) KDM4EP4HTMSMN1; SMN2RAB9AALDH1A1

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