SCHEMBL4062182

SCHEMBL4062182

CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.54
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
BRAF P15056 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GBA1 P04062 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL4073990 0.93 PAX8 (0.54) PAX8LMNASMN1; SMN2HTTMAPK1
SCHEMBL31065210 0.93 PAX8 (0.54) PAX8LMNASMN1; SMN2HTTMAPK1
SCHEMBL4067165 0.88 MAPT (0.53) PAX8LMNASMN1; SMN2MAPK1NPC1
SCHEMBL4067626 0.83 LMNA (0.55) PAX8LMNASMN1; SMN2HTTNPC1
SCHEMBL4075047 0.81 MAPT (0.53) PAX8LMNASMN1; SMN2MAPK1NPC1
SCHEMBL4066911 0.80 ALDH1A1 (0.49) PAX8LMNASMN1; SMN2RAB9AMAPT
SCHEMBL4066908 0.80 CYP3A4 (0.46) PAX8LMNASMN1; SMN2HTTNPC1
SCHEMBL4065398 0.79 MAPT (0.49) PAX8LMNAHTTRAB9AMAPT
SCHEMBL18840973 0.79 ALDH1A1 (0.48) LMNAHTTNPC1RAB9AL3MBTL1
SCHEMBL4063973 0.75 LMNA (0.55) PAX8LMNASMN1; SMN2HTTNPC1

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-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP claimed
EP-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP disclosed