SCHEMBL9669403

SCHEMBL9669403

CC(C)(C#N)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.56
PDE7B Q9NP56 2/20 0.56
MAPT P10636 9/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.46
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
USP47 Q96K76 1/20 0.41

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
SCHEMBL9669718 0.88 PDE7A (0.54) PDE7APDE7BMAPTGAATDP1
SCHEMBL11709219 0.80 MAPT (0.69) PDE7APDE7BMAPTGAAMEN1
SCHEMBL2018745 0.80 PDE7A (0.62) PDE7APDE7BMAPTGAAMEN1
SCHEMBL9575765 0.77 PDE7A (0.59) PDE7APDE7BMAPTGAAMEN1
SCHEMBL9669410 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2ATDP1HTT
SCHEMBL810289 0.75 PDE7A (0.68) PDE7APDE7BMAPTGAAMEN1
SCHEMBL19048971 0.74 PDE7A (0.71) PDE7APDE7BMAPTGAAMEN1
SCHEMBL10368123 0.74 MAPT (0.55) PDE7APDE7BMAPTGAAMEN1
SCHEMBL1713219 0.74 PDE7A (0.65) PDE7APDE7BMAPTGAAMEN1
SCHEMBL30338244 0.74 PDE7A (0.65) PDE7APDE7BMAPTGAAMEN1

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
EP-0163551-B1 PHENOTHIAZINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-12 EP disclosed
US-4705854-A ANTIALLERGENS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1987-11-10 US disclosed
EP-0163551-A1 Phenothiazine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-12-04 EP disclosed