SCHEMBL9566779

SCHEMBL9566779

CCCCOCc1ccc(C(=O)Nc2cccc(Cl)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
MAPT P10636 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
NR1H4 Q96RI1 3/20 0.50
THRB P10828 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FADS1 O60427 1/20 0.46
EPHX1 P07099 2/20 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
SCHEMBL9566795 0.89 P4HTM (0.59) TP53MAPTP4HTMALDH1A1SMN1; SMN2
SCHEMBL9566866 0.87 KDM4E (0.56) MAPTP4HTMALDH1A1SMN1; SMN2MEN1
SCHEMBL9566751 0.87 NPC1 (0.52) P4HTMNR1H4THRBALDH1A1SMN1; SMN2
SCHEMBL9566778 0.85 P4HTM (0.61) TP53MAPTP4HTMALDH1A1SMN1; SMN2
SCHEMBL9566789 0.83 P4HTM (0.60) TP53MAPTP4HTMNR1H4ALDH1A1
SCHEMBL9566807 0.83 P4HTM (0.59) TP53MAPTP4HTMALDH1A1SMN1; SMN2
SCHEMBL9566888 0.81 P4HTM (0.57) TP53MAPTP4HTMALDH1A1SMN1; SMN2
SCHEMBL9566740 0.81 CXCR2 (0.54) P4HTMALDH1A1SMN1; SMN2LMNA
SCHEMBL12020444 0.81 P4HTM (0.62) TP53MAPTP4HTMNR1H4ALDH1A1
SCHEMBL9566797 0.80 P4HTM (0.67) MAPTP4HTMALDH1A1SMN1; SMN2MEN1

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