SCHEMBL3440274

SCHEMBL3440274

CCNCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SIRT6 Q8N6T7 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL30981311 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL28186774 0.82 MAPT (0.53) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL25845507 0.82 MAPT (0.60) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL25189631 0.82 MEN1 (0.60) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL13114892 0.82 MAPT (0.67) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL27832 0.81 SIRT6 (0.59) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL4347097 0.81 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL4399969 0.80 MAPT (0.70) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL25189146 0.80 MEN1 (0.57) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL29104 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2ASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed