SCHEMBL9566792

SCHEMBL9566792

CC(=O)OCc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.55
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 4/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.46
NT5E P21589 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL9566745 0.88 P4HTM (0.53) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566786 0.88 CXCR2 (0.57) P4HTMRAB9ANPC1ALDH1A1
SCHEMBL9566758 0.87 NPC1 (0.57) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566851 0.87 P4HTM (0.58) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566807 0.86 P4HTM (0.59) P4HTMRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL9566788 0.85 P4HTM (0.59) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566849 0.85 P4HTM (0.63) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566769 0.85 KDM4E (0.57) P4HTMKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9566883 0.82 CXCR2 (0.52) P4HTMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9566843 0.82 TRPV1 (0.54) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1

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