SCHEMBL4066874

SCHEMBL4066874

CCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 1/20 0.44
ADORA1 P30542 1/20 0.43
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 3/20 0.42
PPID Q08752 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL4065398 0.92 MAPT (0.49) MAPTNAMPTALDH1A1LMNAADORA1
SCHEMBL4063854 0.89 MAPT (0.50) MAPTNAMPTALDH1A1LMNAADORA1
SCHEMBL18840970 0.88 MAPT (0.48) MAPTNAMPTALDH1A1LMNAADORA1
SCHEMBL4068097 0.82 CYP3A4 (0.44) MAPTALDH1A1LMNARAB9AHTT
SCHEMBL8697615 0.78 ALDH1A1 (0.55) MAPTALDH1A1LMNAADORA1RAB9A
SCHEMBL4067626 0.75 LMNA (0.55) MAPTALDH1A1LMNARAB9AHTT
SCHEMBL4066911 0.75 ALDH1A1 (0.49) MAPTALDH1A1LMNARAB9AKDM4E
SCHEMBL18840973 0.75 ALDH1A1 (0.48) MAPTALDH1A1LMNAADORA1RAB9A
SCHEMBL18840958 0.74 ALDH1A1 (0.48) MAPTALDH1A1LMNAADORA1RAB9A
SCHEMBL4066908 0.74 CYP3A4 (0.46) MAPTALDH1A1LMNARAB9AHTT

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