SCHEMBL9566803

SCHEMBL9566803

COc1ccc(NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 3/20 0.66
▸ NPC1 O15118 8/20 0.63
▸ RAB9A P51151 8/20 0.63
▸ TP53 P04637 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MAPT P10636 3/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ POLB P06746 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ BCHE P06276 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ PPARG P37231 1/20 0.52

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
SCHEMBL9566887 0.88 P4HTM (0.69) P4HTMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9566852 0.83 P4HTM (0.55) P4HTMALDH1A1CYP1A2KMT2AMEN1
SCHEMBL9566790 0.83 LMNA (0.59) P4HTMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9566862 0.82 ABL1 (0.51) P4HTMSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9566835 0.82 P4HTM (0.63) P4HTMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9566833 0.82 P4HTM (0.63) P4HTMALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL9566802 0.81 NPC1 (0.67) P4HTMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9566776 0.81 P4HTM (0.66) P4HTMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2302302 0.81 RAB9A (0.72) P4HTMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9518006 0.80 P4HTM (0.67) P4HTMKMT2AMEN1TDP1

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
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