SCHEMBL8943390

SCHEMBL8943390

COC(=O)c1cc(Cl)c([AsH]C(C)=O)c2c1OCC=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL5318494 0.81 KDM4E (0.38) GAAHTTLMNAMEN1KMT2A
SCHEMBL5764364 0.74 ABL1 (0.38) GAAHTTLMNAMEN1KMT2A
SCHEMBL21003314 0.72 SMN1; SMN2 (0.36) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL31682592 0.69 HTT (0.36) GAAHTTLMNAMEN1KMT2A
SCHEMBL5759485 0.69 ABL1 (0.35) GAAHTTLMNAMAPTNPSR1
SCHEMBL7333342 0.68 SMN1; SMN2 (0.40) HTTLMNAMEN1KMT2AMAPT
SCHEMBL27028859 0.68 KDM4E (0.49) GAALMNAMEN1KMT2AMAPT
SCHEMBL21954978 0.67 HTT (0.37) GAAHTTLMNAMEN1KMT2A
SCHEMBL10615281 0.67 KDM4E (0.48) GAALMNAMEN1KMT2ANPSR1
SCHEMBL4642069 0.66 KDM4E (0.36) LMNAMEN1KMT2AMAPTKDM4E

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
US-5536733-A GASTROINTESTINAL JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-16 US disclosed