SCHEMBL4608634

SCHEMBL4608634

CC(C)(CNC(=O)c1ccccc1O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
ESRRG P62508 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
NAAA Q02083 1/20 0.43
FDPS P14324 1/20 0.43
KDM4E B2RXH2 2/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 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
SCHEMBL4607163 0.81 MAPK1 (0.49) HPGDALDH1A1HTTKMT2AL3MBTL1
SCHEMBL9202857 0.79 HPGD (0.71) HPGDALDH1A1HTTLMNAKMT2A
SCHEMBL4607563 0.79 KDM4E (0.41) HPGDALDH1A1HTTKMT2AL3MBTL1
SCHEMBL9676593 0.76 HPGD (0.51) HPGDALDH1A1HTTLMNAKMT2A
SCHEMBL17205426 0.73 CHRNB2 (0.44) HPGDALDH1A1HTTLMNAKMT2A
SCHEMBL4606730 0.73 KMT2A (0.40) HPGDALDH1A1HTTKMT2AL3MBTL1
SCHEMBL5981145 0.72 P2RX1 (0.50) HPGDALDH1A1HTTKMT2AL3MBTL1
SCHEMBL24340766 0.72 ESRRG (0.47) HPGDALDH1A1HTTLMNAKMT2A
SCHEMBL4610234 0.72 ESRRG (0.47) HPGDALDH1A1HTTLMNAKMT2A
SCHEMBL7476974 0.70 KMT2A (0.58) ALDH1A1HTTLMNAKMT2AL3MBTL1

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-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed