SCHEMBL1189010

SCHEMBL1189010

NCc1cccc(CN2CC(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.54
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
PTGDR Q13258 4/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGIR P43119 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL2333283 0.87 F10 (0.50) F10ALDH1A1HTTHPGDMEN1
Trifluoroacetic Acid SCHEMBL2327044 0.82 F10 (0.65) F10
SCHEMBL2325323 0.70 F10 (0.50) F10
SCHEMBL6858450 0.69 UCHL1 (0.50) ALDH1A1HTTHPGDMEN1LMNA
SCHEMBL6157745 0.69 HCRTR1 (0.48) HPGDTSHRCYP1A2CYP2C19HCRTR1
SCHEMBL2814838 0.67 PRMT6 (0.46) F10ALDH1A1HPGDKMT2ATSHR
Trifluoroacetic Acid SCHEMBL2329602 0.66 F10 (0.66) F10
SCHEMBL15899804 0.64 ALDH1A1 (0.55) ALDH1A1HTTHPGDLMNAMAPT
SCHEMBL6159812 0.64 HCRTR1 (0.45) ALDH1A1HPGDHCRTR1HCRTR2KDM4E
SCHEMBL516788 0.63 PTGDR (0.56) ALDH1A1HTTHPGDMEN1LMNA

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-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed