SCHEMBL8549285

SCHEMBL8549285

CCOC(=O)CNCC(=O)OCC.Cc1ccc2cc(N)c3ccc(C)nc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
CHEK1 O14757 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
PRNP P04156 1/20 0.35

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
SCHEMBL8542074 0.85 KDM4E (0.42) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL8545894 0.81 CTSB (0.46) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL10699895 0.78 CCR1 (0.54) KMT2AL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8549278 0.75 CHEK1 (0.36) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL8227659 0.68 PPID (0.53) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL8672851 0.68 NQO2 (0.43) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL391332 0.66 GAA (0.65) KMT2AALDH1A1HPGDHSD17B10TSHR
Neocuproine SCHEMBL10556003 0.66 CCR1 (0.56) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL12164701 0.66 LMNA (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29155843 0.65 CCR1 (0.51) L3MBTL1KDM4EALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5523402-A COMPLEXING AGENTS FOR TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5367080-A PYRIDINE DERIVATIVES STERLING WINTHROP INC. (US) 1994-11-22 US disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed