SCHEMBL9064321

SCHEMBL9064321

CC(C)CCC(C)N(N=O)c1ccc(NN=O)cc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7765528 0.87 ALDH1A1 (0.30)
SCHEMBL7769399 0.76 ALDH1A1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4295727 0.69 ALDH1A1 (0.31) KMT2ASMN1; SMN2
SCHEMBL10796243 0.68 CA9 (0.38)
SCHEMBL7720749 0.68 ALDH1A1 (0.56) RAB9ASMN1; SMN2
SCHEMBL10793914 0.68 PSEN1 (0.40) KMT2ASMN1; SMN2
SCHEMBL10794057 0.67 PSEN1 (0.41)
SCHEMBL9064331 0.66 ALDH1A1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3191368 0.65 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL9878147 0.65

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-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP claimed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP claimed
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP disclosed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP disclosed