SCHEMBL1532579

SCHEMBL1532579

CCCCCCC(O)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.47
FDPS P14324 1/20 0.44
CSNK1E P49674 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LTB4R Q15722 2/20 0.42
MTOR P42345 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL3960304 0.87 PTPRA (0.53) PTPRAFDPSKDM4ELMNAALOX15
SCHEMBL29058174 0.84 GRIN2D (0.44) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL21770640 0.84 GRIN2D (0.44) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL19732279 0.84 GRIN2D (0.44) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL20209728 0.83 GRIN2D (0.42) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL23844725 0.81 KCNH2 (0.42) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL22118359 0.81 GRIN2D (0.49) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL18647910 0.81 KCNH2 (0.42) PTPRAFDPSCSNK1EKDM4ELMNA
Bromide SCHEMBL28096107 0.81 GRIN2D (0.41) PTPRAFDPSCSNK1EKDM4ELMNA
SCHEMBL21078278 0.81 GRIN2D (0.44) PTPRAFDPSKDM4ELMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2293670-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT Arch Chemicals, Inc. (US) 2011-03-16 EP claimed
WO-2009148794-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT ARCH CHEMICALS, INC. (US) 2009-12-10 WO claimed
US-20090298805-A1 TOPICAL PYRITHIONE COMPOSITIONS AND METHODS FOR TREATMENT OF NAIL FUNGUS ARCH CHEMICALS, INC. 2009-12-03 US claimed
EP-2293670-B1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT ARCH CHEM INC (US) 2016-03-30 EP disclosed
EP-2293670-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT Arch Chemicals, Inc. (US) 2011-03-16 EP disclosed
WO-2009148794-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT ARCH CHEMICALS, INC. (US) 2009-12-10 WO disclosed
US-20090298805-A1 TOPICAL PYRITHIONE COMPOSITIONS AND METHODS FOR TREATMENT OF NAIL FUNGUS ARCH CHEMICALS, INC. 2009-12-03 US disclosed