SCHEMBL8395949

SCHEMBL8395949

NN1c2ccccc2NC1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.30

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
SCHEMBL12502444 0.77 PTPN1 (0.38) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL18753027 0.75 PTPN1 (0.41) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL16871509 0.72 KDM4E (0.41) GAASMN1; SMN2BRD4KDM4EALDH1A1
SCHEMBL28770003 0.72 HTR2A (0.34) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL20260086 0.71 PTPN1 (0.38) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL13807152 0.71 PTPN1 (0.38) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL8392735 0.68 IDO1 (0.36) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL21669400 0.68 GAA (0.35) PTPN1IDO1GAASMN1; SMN2BRD4
SCHEMBL24360481 0.64 OPRL1 (0.39) PTPN1GAASMN1; SMN2BRD4MAPK1
SCHEMBL15430414 0.64 PTPN1 (0.41) PTPN1IDO1GAASMN1; SMN2BRD4

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-0915653-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 — — EP disclosed
WO-1997049287-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed
Send feedback