SCHEMBL6586347

SCHEMBL6586347

COc1ccc(C(O)CC#N)cc1OCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
NSD2 O96028 2/20 0.44
EHMT2 Q96KQ7 2/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
EBP Q15125 1/20 0.43

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
SCHEMBL6586342 0.82 PDE4A (0.51) SIGMAR1
SCHEMBL6582744 0.81 SIGMAR1 (0.50) SIGMAR1EBP
SCHEMBL6584079 0.79 PDE4B (0.43) KMT2ASIGMAR1EBP
SCHEMBL6586912 0.77 PDE4B (0.46)
SCHEMBL7369485 0.76 MAPK1 (0.58) KMT2AMAPK1HSD17B10SIGMAR1EBP
SCHEMBL6584176 0.74 ACHE (0.52) SLC29A1TLR9TLR7MAPK1HSD17B10
SCHEMBL6582898 0.73 PPARG (0.53) KMT2A
SCHEMBL6586702 0.72 FFAR1 (0.45) KMT2ASIGMAR1EBP
SCHEMBL6583680 0.72 PDE4B (0.42) KMT2A
SCHEMBL6585601 0.72 PDE4B (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed