SCHEMBL9566757

SCHEMBL9566757

Cc1ccccc1C(=O)OCc1ccc(C(=O)Nc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
P4HTM Q9NXG6 3/20 0.51
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
GABRA5 P31644 1/20 0.45
TP53 P04637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
LMNA P02545 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
SCHEMBL9517994 0.83 P4HTM (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9566758 0.83 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9515933 0.83 P4HTM (0.55) ALDH1A1GAAKMT2AP4HTMKDM4E
SCHEMBL9566760 0.80 RAB9A (0.60) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL9566737 0.78 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9515753 0.78 GABRA5 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL12020439 0.78 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9566777 0.78 P4HTM (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9537850 0.76 ALDH1A1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9566756 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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