SCHEMBL8435959

SCHEMBL8435959

Cc1c(CN)cccc1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.53
PDCD1 Q15116 4/20 0.53
DPP4 P27487 1/20 0.46
ABAT P80404 1/20 0.42
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
ESR2 Q92731 2/20 0.39
ESR1 P03372 2/20 0.39
USP7 Q93009 1/20 0.39
PNMT P11086 1/20 0.39
SENP1 Q9P0U3 1/20 0.38
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 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
SCHEMBL3784785 0.85 CD274 (0.53) CD274PDCD1DPP4
SCHEMBL3793203 0.83 CD274 (0.69) CD274PDCD1DPP4PNMTEPHX1
SCHEMBL12524048 0.81 DPP4 (0.69) DPP4ABATABL1ABCB1BCR
SCHEMBL16581454 0.80 ABL1 (0.52) CD274PDCD1ABL1ABCB1BCR
SCHEMBL4941499 0.78 CD274 (0.53) CD274PDCD1EPHX1
SCHEMBL30046939 0.75 TRPA1 (0.48) CD274PDCD1ABL1ABCB1BCR
SCHEMBL1513532 0.75 TRPA1 (0.48) CD274PDCD1ABL1ABCB1BCR
SCHEMBL3805255 0.75 DPP4 (0.55) CD274PDCD1DPP4PNMT
SCHEMBL3789280 0.74 HTR7 (0.49) CD274PDCD1DPP4PNMT
SCHEMBL27989294 0.73 ESR1 (0.46) CD274PDCD1ABL1ABCB1BCR

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-0966436-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
WO-1998037061-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed