SCHEMBL6205040

SCHEMBL6205040

O=[N+]([O-])c1ccc(Cl)c(COc2cccnc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
CYP19A1 P11511 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
S1PR4 O95977 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3A P31941 1/20 0.41

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
SCHEMBL29857877 0.79 NPC1 (0.66) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL26916989 0.79 NPC1 (0.66) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL6079292 0.77 MAPT (0.64) RAB9AKMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL6079865 0.74 MAPT (0.45) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28695929 0.74 HSD17B10 (0.58) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL8367532 0.74 MEN1 (0.69) NPC1KMT2AMEN1CYP19A1ALDH1A1
SCHEMBL27097026 0.73 KMT2A (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8566987 0.72 LMNA (0.47) NPC1RAB9AKMT2AMEN1CYP19A1
SCHEMBL488932 0.72 NPC1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6204688 0.71 MAPT (0.57) RAB9AKMT2AMEN1CYP19A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed