SCHEMBL16675691

SCHEMBL16675691

C[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPN P05981 1/20 0.47
THRB P10828 1/20 0.45

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
SCHEMBL12367107 0.91 MAPT (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11934694 0.85 MAPT (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21874744 0.82 MAPT (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL18919642 0.82 MAPT (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16675742 0.82 MEN1 (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16934915 0.81 MAPT (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2557104 0.80 NOTUM (0.65) MAPTKDM4EMEN1KMT2A
SCHEMBL24073901 0.79 MAPT (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2259716 0.79 MAPT (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3440420 0.79 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed