SCHEMBL6862211

SCHEMBL6862211

O=[N+]([O-])c1cccc(CN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MAPK1 P28482 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.62
DRD4 P21917 1/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
HTR7 P34969 1/20 0.58
RAB9A P51151 1/20 0.57

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
SCHEMBL2659435 0.92 L3MBTL1 (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15800712 0.89 ALDH1A1 (0.78) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL31349281 0.88 ALDH1A1 (0.74) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL20272177 0.88 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6702413 0.88 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL20272182 0.88 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL12610811 0.87 SIGMAR1 (0.75) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL20272696 0.85 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8168498 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1126947 0.85 POLB (0.75) MEN1KMT2AALDH1A1KDM4ETDP1

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
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
CN-117285485-A Bis-sulfonamide derivative and preparation method and application thereof 复旦大学 2023-12-26 CN disclosed
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-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-1998008091-A1 NORMALIZATION OF COMBINATORIAL REACTIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-26 WO disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed