SCHEMBL2544360

SCHEMBL2544360

OCCc1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.55
L3MBTL1 Q9Y468 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GPR3 P46089 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38

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 0.86 PTPN1 (0.54) PTPN1L3MBTL1LOXL2GPR3FABP4
SCHEMBL2542509 0.83 PTPN1 (0.51) PTPN1L3MBTL1LOXL2GPR3
SCHEMBL11900715 0.82 LOXL2 (0.59) PTPN1L3MBTL1LOXL2GPR3
SCHEMBL10758177 0.78 PTPN1 (0.53) PTPN1L3MBTL1LOXL2
SCHEMBL10755869 0.76 PTPN1 (0.56) PTPN1
SCHEMBL10756975 0.75 PTPN1 (0.51) PTPN1L3MBTL1LOXL2FABP4FABP5
Oxalic Acid SCHEMBL10753837 0.75 PTPN1 (0.54) PTPN1
Hydrochloric Acid SCHEMBL7980948 0.75 PTPN1 (0.51) PTPN1
SCHEMBL17921221 0.75 LOXL2 (0.65) PTPN1L3MBTL1LOXL2GPR3
SCHEMBL4851404 0.75 PTGS2 (0.42) PTPN1LOXL2GPR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed