SCHEMBL3404332

SCHEMBL3404332

COC(=O)[C@@](N)(CN)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PTPN1 P18031 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 1/20 0.41
KCNN4 O15554 1/20 0.41
LMNA P02545 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
SCHEMBL29255120 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1PTPN1MAPK1
Hydrochloric Acid SCHEMBL4228454 0.98 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27842108 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27842109 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27469426 0.86 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL7653623 0.86 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL383648 0.86 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27651792 0.85 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL6016191 0.85 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL27953832 0.85 KMT2A (0.48) KMT2AMEN1ALDH1A1PTPN1MAPK1

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-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
CN-1352641-A Isopiperidinecarboxamides for the treatment of integrin-mediated disorders ORTHO MCNEIL PHARM INC (US) 2002-06-05 CN disclosed