SCHEMBL8545894

SCHEMBL8545894

CCOC(=O)CNCC(=O)OCC.Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
CTSH P09668 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8548121 0.82 CTSB (0.60) CTSBCTSHALDH1A1MAPTKDM4E
SCHEMBL8549285 0.81 KMT2A (0.39) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL8545888 0.77 GRIA1 (0.38) CTSBCTSHLMNAALDH1A1MAPT
SCHEMBL9693444 0.72 LMNA (0.53) CTSBCTSHLMNAALDH1A1MAPT
SCHEMBL8674339 0.71 CTSB (0.48) CTSBCTSHLMNAALDH1A1MAPT
SCHEMBL2312391 0.70 CTSB (0.68) CTSBCTSHLMNAALDH1A1MAPT
SCHEMBL8229648 0.69 LMNA (0.48) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8599940 0.68 ALDH1A1 (0.52) CTSBLMNAALDH1A1MAPTKDM4E
SCHEMBL24496516 0.68 MAPK1 (0.44) CTSBCTSHLMNAALDH1A1MAPT
SCHEMBL29597593 0.68 MAPK1 (0.44) CTSBCTSHLMNAALDH1A1MAPT

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