SCHEMBL9566769

SCHEMBL9566769

CCOCc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
P4HTM Q9NXG6 4/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
TSHR P16473 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 1/20 0.46
NT5E P21589 1/20 0.46
MAPK1 P28482 1/20 0.46

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 0.88 KDM4E (0.56) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566825 0.88 P4HTM (0.66) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566868 0.88 CXCR2 (0.60) P4HTMALDH1A1RAB9ANPC1CXCR1
SCHEMBL9566851 0.87 P4HTM (0.58) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566737 0.87 NPC1 (0.57) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566795 0.86 P4HTM (0.59) P4HTMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9566812 0.85 P4HTM (0.59) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566792 0.85 P4HTM (0.55) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566848 0.84 P4HTM (0.55) KDM4EP4HTMKMT2AMEN1ALDH1A1
SCHEMBL9566817 0.83 TRPV1 (0.55) KDM4EP4HTMALDH1A1RAB9ASMN1; SMN2

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