SCHEMBL8585458

SCHEMBL8585458

COc1cc2c(Cl)ncnc2cc1OCCN(C)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 6/20 0.40
KDR P35968 9/20 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
SCHEMBL8526248 0.82 MEN1 (0.41) ENPP1MEN1KMT2AKDR
SCHEMBL16760479 0.82 ENPP1 (0.64) ENPP1EGFRKDR
SCHEMBL8525239 0.77 TNF (0.44) MEN1KMT2A
SCHEMBL3951030 0.77 ENPP1 (0.73) ENPP1EGFRKDR
SCHEMBL4375574 0.77 ENPP1 (0.62) ENPP1EGFRKDR
SCHEMBL8526204 0.75 EGFR (0.53) EGFRKDR
SCHEMBL3947513 0.73 ENPP1 (0.71) ENPP1EGFRKDR
SCHEMBL1011386 0.73 ENPP1 (0.70) ENPP1KDR
SCHEMBL4373124 0.72 ENPP1 (0.68) ENPP1KDR
SCHEMBL1012226 0.72 ENPP1 (0.68) ENPP1KDR

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-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed