SCHEMBL8068098

SCHEMBL8068098

CC(=O)Nc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 7/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 3/20 0.49
ALDH3A1 P30838 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PABPC1 P11940 1/20 0.45
PKM P14618 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
SCHEMBL9693477 0.88 HTT (0.58) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL14691256 0.86 MAPT (0.50) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL14691259 0.86 MAPT (0.50) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL14706208 0.85 ALDH1A1 (0.52) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL11526803 0.82 HTT (0.71) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL28762600 0.82 HTT (0.56) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL8067374 0.81 ALDH1A1 (0.45) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL7816540 0.81 MAPT (0.58) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL2935107 0.81 HTT (0.69) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL7600834 0.80 ALDH1A1 (0.72) HTTSMN1; SMN2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed