SCHEMBL9433748

SCHEMBL9433748

O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCc3ccccc3C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.76
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.62
TP53 P04637 1/20 0.58
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
OPRK1 P41145 1/20 0.52
HTR6 P50406 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL4832048 0.89 HTR7 (0.69) HTR7GAAMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2140664 0.82 HTR7 (0.69) HTR7ALDH1A1TP53HTR6MEN1
Hydrochloric Acid SCHEMBL4232329 0.81 HTR7 (0.70) HTR7ALDH1A1TP53HTR6MEN1
SCHEMBL9433739 0.81 HTR7 (0.74) HTR7KDM4ETP53OPRK1HTR6
Hydrochloric Acid SCHEMBL4230045 0.80 HTR7 (0.69) HTR7ALDH1A1TP53HTR6MEN1
SCHEMBL15823836 0.80 GAA (0.74) GAAMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7648765 0.80 ALDH1A1 (0.54) HTR7GAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7000216 0.80 KDM4E (0.92) GAAMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5741137 0.79 HTR7 (1.00) HTR7KDM4EHTR6
SCHEMBL4772036 0.79 KDM4E (0.90) GAAMAPTSMN1; SMN2KDM4ELMNA

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
US-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 US disclosed