SCHEMBL14284530

SCHEMBL14284530

COc1ccnc(C(=O)NCC(=O)OCCCCCc2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 4/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 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
SCHEMBL5583644 0.84 RAB9A (0.52) KMT2AMEN1RAB9A
SCHEMBL14284528 0.83 ATM (0.41) ALOX5NAAAPDE4APDE4BPDE4C
SCHEMBL5583623 0.83 RAB9A (0.50) KMT2AMEN1RAB9A
SCHEMBL19937647 0.78 KMT2A (0.43) KMT2AMEN1RAB9AL3MBTL1
SCHEMBL5583853 0.78 KMT2A (0.58) KMT2AMEN1L3MBTL1
SCHEMBL5583751 0.78 S1PR4 (0.47) KMT2AMEN1RAB9A
SCHEMBL964996 0.76 PTPN1 (0.49) KMT2AMEN1L3MBTL1
SCHEMBL969853 0.76 PTPN1 (0.49) KMT2AMEN1L3MBTL1
SCHEMBL964994 0.76 PTPN1 (0.49) KMT2AMEN1L3MBTL1
SCHEMBL8883981 0.76 PTPN1 (0.49) KMT2AMEN1L3MBTL1

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed