SCHEMBL9529038

SCHEMBL9529038

N#Cc1ccc(-c2c(Cl)c[c]cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.43
KIF11 P52732 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RHEB Q15382 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 2/20 0.37
CA1 P00915 1/20 0.37
MAP2 P11137 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP19A1 P11511 1/20 0.36
NOTUM Q6P988 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL6081038 0.78 AHR (0.41) CYP2A6ALDH1A1LMNAMAPT
SCHEMBL3509636 0.77 MMP3 (0.59) MMP3KIF11MAOAMAOBCA12
SCHEMBL17630012 0.76 MMP3 (0.41) MMP3KIF11MAOAMAOBRHEB
SCHEMBL17630029 0.76 EGLN2 (0.43) MMP3KIF11MAOAMAOBRHEB
SCHEMBL22064849 0.75 MMP3 (0.52) MMP3KIF11MAOAMAOBCA12
SCHEMBL8326328 0.74 TYMP (0.40) ARTSHR
SCHEMBL2186256 0.73 MMP3 (0.47) MMP3KIF11MAOAMAOBRHEB
SCHEMBL7460316 0.73 CYP2A6 (0.42) CYP2A6ALDH1A1TSHRLMNAMAPT
SCHEMBL396846 0.71 MMP3 (0.74) MMP3KIF11MAOAMAOBCA12
Water SCHEMBL11055485 0.71 MMP3 (0.74) MMP3KIF11MAOAMAOBCA12

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-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP claimed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO claimed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP claimed