SCHEMBL8545888

SCHEMBL8545888

CCOC(=O)CN(CC(=O)OCC)Cc1ccc2cc([N+](=O)[O-])c3ccc(CN(CC(=O)OCC)CC(=O)OCC)nc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSB P07858 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.35
CTSH P09668 1/20 0.35
GAA P10253 2/20 0.35
MITF O75030 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8599940 0.90 ALDH1A1 (0.52) LMNAMAPTALDH1A1L3MBTL1CTSB
SCHEMBL8549278 0.82 CHEK1 (0.36) LMNAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8545894 0.77 CTSB (0.46) LMNAMAPTALDH1A1L3MBTL1CTSB
SCHEMBL8544282 0.74 CCR1 (0.50) MAPTALDH1A1L3MBTL1CTSBKDM4E
SCHEMBL8599943 0.72 ALDH1A1 (0.62) LMNAMAPTALDH1A1L3MBTL1CTSB
SCHEMBL8548121 0.70 CTSB (0.60) MAPTALDH1A1L3MBTL1CTSBKDM4E
SCHEMBL8229645 0.69 RAB9A (0.46) LMNAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8674339 0.68 CTSB (0.48) LMNAMAPTALDH1A1L3MBTL1CTSB
SCHEMBL8935801 0.67 ALDH1A1 (0.42) LMNAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8673214 0.67 MAPT (0.47) LMNAMAPTALDH1A1L3MBTL1CTSB

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 7 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
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed