SCHEMBL4067165

SCHEMBL4067165

CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CASP3 P42574 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 1/20 0.47
PAX8 Q06710 1/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL4075047 0.92 MAPT (0.53) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL4062182 0.88 PAX8 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4067626 0.84 LMNA (0.55) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4066908 0.83 CYP3A4 (0.46) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31065210 0.81 PAX8 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4073990 0.81 PAX8 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4065398 0.80 MAPT (0.49) MAPTKMT2ARAB9AHPGDLMNA
SCHEMBL4066911 0.80 ALDH1A1 (0.49) MAPTTRPV1RAB9AHPGDSMN1; SMN2
SCHEMBL18840973 0.80 ALDH1A1 (0.48) MAPTKMT2ANPC1RAB9AHPGD
SCHEMBL4063973 0.76 LMNA (0.55) MAPTKMT2AMEN1NPC1RAB9A

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