SCHEMBL10739746

SCHEMBL10739746

Cc1ccc(-n2c(CF)nc3ccc(N)cc3c2=O)c(C)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.77
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HPD P32754 3/20 0.45
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR7 P34969 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL10741182 0.90 PDE4D (0.76) PDE4DALDH1A1KDM4ESMN1; SMN2HPD
SCHEMBL10711517 0.89 PDE4D (0.74) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10709171 0.89 PDE4D (0.74) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
Afloqualone SCHEMBL400184 0.87 PDE4D (1.00) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
Afloqualone SCHEMBL29540781 0.87 PDE4D (1.00) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10741892 0.87 PDE4D (0.71) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10742868 0.83 PDE4D (0.76) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10735755 0.83 PDE4D (0.83) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10734185 0.82 PDE4D (0.53) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL18687883 0.82 PDE4D (0.78) PDE4DALDH1A1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4714702-A CENTRAL MUSCLE RELAXANTS TANABE SEIYAKU CO., LTD. (JP) 1987-12-22 US disclosed
EP-0116268-A1 Novel quinazolinone derivative, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1984-08-22 EP disclosed