SCHEMBL4242279

SCHEMBL4242279

C=C(O)Cn1ncc(C(=O)OCC)c1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
RAB9A P51151 5/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL31715213 0.86 NPC1 (0.64) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL173434 0.84 NPC1 (0.68) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL7008027 0.82 NPC1 (0.60) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL13522588 0.82 HPGD (0.66) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL24452557 0.81 NPC1 (0.65) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL27106085 0.81 NPC1 (0.61) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL4550595 0.81 ALDH1A1 (0.43) NPC1LMNAALDH1A1RAB9AKDM4E
SCHEMBL19208815 0.80 NPC1 (0.57) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL7105351 0.80 NPC1 (0.64) NPC1LMNAALDH1A1HPGDRAB9A
SCHEMBL1137591 0.80 NPC1 (0.60) NPC1LMNAALDH1A1HPGDRAB9A

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-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