SCHEMBL28133018

SCHEMBL28133018

Cn1cc(S(C)(=O)=O)c2ccc(C(N)=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 1/20 0.45
BRPF1 P55201 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SCN9A Q15858 10/20 0.44
SCN5A Q14524 1/20 0.40
EDNRB P24530 4/20 0.40
EDNRA P25101 4/20 0.40

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
SCHEMBL26581277 0.81 BRD4 (0.50) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL28133017 0.76 SCN9A (0.45) SCN9ASCN5A
SCHEMBL19336961 0.74 L3MBTL1 (0.55) ALDH1A1
SCHEMBL2178801 0.73 CA9 (0.45) BRD4SCN9ASCN5A
SCHEMBL17443787 0.72 BRD4 (0.44) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL3283017 0.72 SLC9A1 (0.46) SMN1; SMN2
SCHEMBL26581232 0.72 KDM4E (0.50) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL31098197 0.71 SMN1; SMN2 (0.45) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL2175671 0.70 ALDH1A1 (0.43) BRD4ALDH1A1SMN1; SMN2SCN9ASCN5A
SCHEMBL2175828 0.70 CREBBP (0.40) BRD4ALDH1A1SMN1; SMN2SCN9A

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
CN-106488916-A The new 2,5 substituted miazines as PDE inhibitor 格吕伦塔尔有限公司 2017-03-08 CN disclosed