SCHEMBL8201092

SCHEMBL8201092

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.65
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
TERT O14746 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
MALT1 Q9UDY8 1/20 0.53
CTSL P07711 1/20 0.50
PTPN13 Q12923 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL2601917 0.95 PTPRC (0.68) PTPRCGRIN1GRIN2AGRIN2BTERT
SCHEMBL8197262 0.94 PTPRC (0.71) PTPRCGRIN1GRIN2AGRIN2BTERT
SCHEMBL20978557 0.90 PTPRC (0.61) PTPRCGRIN1GRIN2AGRIN2BTERT
SCHEMBL16152246 0.82 SMN1; SMN2 (0.60) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL14158944 0.82 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL22121387 0.81 HDAC3 (0.59) KMT2AMEN1DRD2DRD3
SCHEMBL18015978 0.81 TERT (0.59) PTPRCGRIN1GRIN2AGRIN2BTERT
SCHEMBL13875721 0.81 GRIN1 (0.67) PTPRCGRIN1GRIN2AGRIN2BTERT
SCHEMBL1467340 0.81 NAAA (0.56) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL8201097 0.81 PTPRC (0.61) PTPRCGRIN1GRIN2AGRIN2BTERT

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-0820483-B1 METHOD OF PHOTOCHEMICAL IMMOBILIZATION OF LIGANDS USING QUINONES JAKOBSEN MOGENS HAVSTEEN (DK) 2000-12-13 EP disclosed
US-6033784-A Method of photochemical immobilization of ligands using quinones JAKOBSEN MOGENS HAVSTEEN (DK) 2000-03-07 US disclosed