SCHEMBL4678464

SCHEMBL4678464

O=C(O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KMT2A Q03164 2/20 0.59
AKR1C3 P42330 2/20 0.55
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
BDKRB1 P46663 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4685306 0.89 AKR1C3 (0.64) ALDH1A1KMT2AAKR1C3MAPTGAA
SCHEMBL3940689 0.88 ALDH1A1 (0.67) ALDH1A1KMT2AAKR1C3MAPTGAA
SCHEMBL83108 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AAKR1C3MAPTGAA
SCHEMBL819016 0.86 MAPT (0.66) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL2047090 0.85 CYP2C19 (0.66) ALDH1A1KMT2AAKR1C3MAPTNPSR1
SCHEMBL28228800 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AAKR1C3MAPTGAA
SCHEMBL14397784 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AAKR1C3MAPTGAA
SCHEMBL8174226 0.83 KMT2A (0.62) ALDH1A1KMT2AAKR1C3MAPTGAA
Ammonia Solution, Strong SCHEMBL28386079 0.83 CYP2C19 (0.64) ALDH1A1KMT2AAKR1C3MAPTNPSR1
SCHEMBL11874732 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AAKR1C3MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed