SCHEMBL5750125

SCHEMBL5750125

Cc1ccn2c(OC(=O)O)c(C)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.46
GAA P10253 4/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CGAS Q8N884 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
COMT P21964 1/20 0.43
USP7 Q93009 1/20 0.43

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
SCHEMBL5746203 0.83 NPC1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28007924 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1768162 0.76 SMN1; SMN2 (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6112657 0.73 KMT2A (0.64) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2929154 0.72 GAA (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL19723534 0.72 GAA (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4968771 0.72 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12832208 0.71 ALDH1A1 (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1768201 0.71 RAB9A (0.69) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7235017 0.71 NPC1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549650-B1 SUBSTITUTED C-IMIDAZO[1,2-A]PYRIDIN-3-YL-METHYLAMINES GRUENENTHAL GMBH (DE) 2006-03-22 EP disclosed
EP-1549650-A1 SUBSTITUTED C-IMIDAZO[1,2-A]PYRIDIN-3-YL-METHYLAMINES Grünenthal GmbH (DE) 2005-07-06 EP disclosed
WO-2004033453-A1 SUBSTITUTED C-IMIDAZO[1,2-A]PYRIDIN-3-YL-METHYLAMINES Grünenthal GmbH (DE) 2004-04-22 WO disclosed