SCHEMBL9050747

SCHEMBL9050747

COc1ccc(CSCC2(CSCc3ccc(OC)cc3)NC(=O)NC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CRBN Q96SW2 1/20 0.45
LMNA P02545 3/20 0.43
MMP9 P14780 6/20 0.42
MMP2 P08253 5/20 0.42
MMP8 P22894 5/20 0.42
MMP13 P45452 5/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DAO P14920 1/20 0.42
ADAM17 P78536 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 2/20 0.39
MMP1 P03956 1/20 0.38
GAA P10253 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
SCHEMBL8661339 0.80 ALDH1A1 (0.42) SMN1; SMN2CRBNMAOAMAOBADAM17
Hydrochloric Acid SCHEMBL9053511 0.79 GFER (0.34) SMN1; SMN2NPSR1MAOAMAOB
SCHEMBL9049539 0.78 ALDH1A1 (0.43) SMN1; SMN2LMNAMMP8MMP13DAO
SCHEMBL9051430 0.77 HTT (0.47) SMN1; SMN2MAOAMAOBDAOBCHE
SCHEMBL9048067 0.77 CA12 (0.44) LMNAGAA
SCHEMBL11607926 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1LMNAMMP9MMP2
SCHEMBL9046628 0.76 CYP1A2 (0.50) LMNAMMP8BCHEACHEIDO1
SCHEMBL5935684 0.75 ALDH1A1 (0.42) CRBNLMNAMMP9MMP2MMP8
SCHEMBL11604698 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1LMNAMMP9MMP2
SCHEMBL8660046 0.72 ALDH1A1 (0.39) CRBNMAOAMAOBADAM17

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-0660826-A4 5,5-DISUBSTITUTED HYDANTOINS. SOUTHERN RES INST (US) 1996-07-31 EP disclosed
EP-0660826-A1 5,5-DISUBSTITUTED HYDANTOINS SOUTHERN RESEARCH INSTITUTE (US) 1995-07-05 EP disclosed
WO-1994006775-A1 5,5-DISUBSTITUTED HYDANTOINS SOUTHERN RESEARCH INSTITUTE (US) 1994-03-31 WO disclosed