SCHEMBL9529033

SCHEMBL9529033

N#Cc1ccc(-c2[c]cc(Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
RHEB Q15382 1/20 0.39
MMP3 P08254 1/20 0.38
KIF11 P52732 3/20 0.35
ENPP2 Q13822 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NLRP3 Q96P20 1/20 0.34
VCAM1 P19320 1/20 0.34
CASP1 P29466 1/20 0.34
GSK3B P49841 1/20 0.34
PLAU P00749 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL6081036 0.81 AHR (0.43) MAPTLMNATSHRALDH1A1CYP2A6
SCHEMBL7566027 0.76 NPC1 (0.39) TSHRALDH1A1KDM4E
SCHEMBL7702034 0.75 CYP1A2 (0.41) LMNATSHRHTTALDH1A1CYP2A6
SCHEMBL3018345 0.73 AHR (0.52) MAPTTSHRHTTALDH1A1KDM4E
SCHEMBL2186256 0.72 MMP3 (0.47) MAOAMAOBRHEBMMP3KIF11
SCHEMBL9529038 0.69 MMP3 (0.43) MAOAMAOBRHEBMMP3KIF11
SCHEMBL4446050 0.69 MAOA (0.64) MAOAMAOBMMP3KIF11MAPT
SCHEMBL4945314 0.69 HSD17B10 (0.46) MAPTTSHRVCAM1CA12CA2
SCHEMBL10516966 0.69 ESR2 (0.39) TSHRHSD17B3ALDH1A1KDM4EL3MBTL1
SCHEMBL16918828 0.69 MMP3 (0.52) MAOAMAOBRHEBMMP3KIF11

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
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