SCHEMBL6858096

SCHEMBL6858096

O=[N+]([O-])c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GAA P10253 1/20 0.65
GFER P55789 1/20 0.65
ALDH1A1 P00352 8/20 0.63
MAPK1 P28482 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
KDM4E B2RXH2 3/20 0.63
LMNA P02545 3/20 0.63
MAPT P10636 3/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 2/20 0.60
NPSR1 Q6W5P4 1/20 0.59
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL11551872 0.87 KDM4E (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL8168498 0.86 MEN1 (0.64) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL15800712 0.85 ALDH1A1 (0.78) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL6862211 0.83 MEN1 (0.65) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL31349281 0.82 ALDH1A1 (0.74) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL2659435 0.81 L3MBTL1 (0.61) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7985192 0.81 ALDH1A1 (0.62) MEN1KMT2AGAAALDH1A1MAPK1
SCHEMBL922597 0.80 ALDH1A1 (0.70) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL2162396 0.79 GAA (1.00) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL6864941 0.79 DRD4 (0.81) ALDH1A1KDM4EDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed