SCHEMBL8544282

SCHEMBL8544282

O=[N+]([O-])c1cc2ccc(CBr)nc2c2nc(CBr)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSB P07858 6/20 0.40
HPRT1 P00492 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CTSH P09668 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL9396650 0.86 MAPT (0.68) ALDH1A1MAPTL3MBTL1CTSBMEN1
SCHEMBL8548121 0.76 CTSB (0.60) CCR1ALDH1A1MAPTL3MBTL1CTSB
SCHEMBL8674834 0.75 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1CTSBHPRT1
SCHEMBL28596104 0.75 PDE10A (0.54) CCR1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8545888 0.74 GRIA1 (0.38) ALDH1A1MAPTL3MBTL1CTSBKDM4E
SCHEMBL17011283 0.74 CCR1 (0.52) CCR1ALDH1A1MAPTL3MBTL1CTSB
SCHEMBL8673214 0.73 MAPT (0.47) ALDH1A1MAPTL3MBTL1CTSBHPRT1
SCHEMBL4819932 0.71 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL1258482 0.70 CCR1 (1.00) CCR1MAPTKDM4ECYP2D6HIF1A
SCHEMBL1187593 0.69 TSHR (0.40) CCR1ALDH1A1MAPTL3MBTL1CTSB

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 11 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-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
US-5677445-A DIAGNOSIS, THERAPY NYCOMED IMAGING AS (NO) 1997-10-14 US 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
US-5262526-A Fluorescent compound, complex, reagent, and specific binding assay employing said reagent DOJINDO LABORATORIES (JP) 1993-11-16 US disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
EP-0493745-A1 Fluorescent compound, complex, reagent, and specific binding assay employing said reagent DOJINDO LABORATORIES (JP) 1992-07-08 EP disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed