Sugi Predict

Sugi Predict / Compounds / SCHEMBL2544178

SCHEMBL2544178

SCHEMBL2544178

O=CCc1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 15/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 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
SCHEMBL2960529 0.77 PTPN1 (0.54) PTPN1L3MBTL1LOXL2GPR3FABP4
SCHEMBL11900715 0.77 LOXL2 (0.59) PTPN1L3MBTL1LOXL2GPR3
SCHEMBL2552331 0.76 PTGS2 (0.41) PTPN1LOXL2GPR3
SCHEMBL6118386 0.76 ALDH1A1 (0.41) L3MBTL1LOXL2GPR3
SCHEMBL17256196 0.76 LOXL2 (0.62) L3MBTL1LOXL2GPR3
SCHEMBL3845362 0.75 TNKS (0.38) PTPN1L3MBTL1LOXL2
SCHEMBL2542509 0.75 PTPN1 (0.51) PTPN1L3MBTL1LOXL2GPR3
SCHEMBL2544360 0.75 PTPN1 (0.55) PTPN1L3MBTL1LOXL2GPR3FABP4
SCHEMBL10756969 0.74 L3MBTL1 (0.45) PTPN1L3MBTL1GPR3FABP4FABP5
Hydrochloric Acid SCHEMBL10865885 0.71 ITGA4 (0.47) PTPN1

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-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed