SCHEMBL4457917

SCHEMBL4457917

NC(=O)Oc1cccc(-c2nccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR1 O14842 1/20 0.48
PDPK1 O15530 1/20 0.47
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
KAT6A Q92794 1/20 0.44
HDAC2 Q92769 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP2A6 P11509 1/20 0.43
CHEK2 O96017 1/20 0.42
MYC P01106 1/20 0.41
CTSA P10619 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL27542200 0.82 LOXL2 (0.51) FFAR1PDPK1ABL1BCRPTGDR2
SCHEMBL2303493 0.78 KAT6A (0.55) FFAR1PDPK1ABL1BCRPTGDR2
SCHEMBL11116139 0.78 PDPK1 (0.51) FFAR1PDPK1ABL1BCRPTGDR2
SCHEMBL1980934 0.77 DYRK1A (0.57) PDPK1ABL1BCRCYP2A6CTSA
SCHEMBL29462071 0.77 DYRK1A (0.57) PDPK1ABL1BCRCYP2A6CTSA
SCHEMBL11115774 0.77 PDPK1 (0.50) FFAR1PDPK1ABL1BCRPTGDR2
SCHEMBL15805858 0.76 PDPK1 (0.72) FFAR1PDPK1PTGDR2KAT6AHDAC2
SCHEMBL4748362 0.76 FAAH (0.65) HDAC6
2-Phenylthiazole SCHEMBL28287735 0.75 PDPK1 (0.78) FFAR1PDPK1ABL1BCRPTGDR2
SCHEMBL2152506 0.75 NOTUM (0.57) FFAR1PDPK1PTGDR2LOXL2CYP2A6

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed