SCHEMBL6586431

SCHEMBL6586431

COc1ccc(C2(c3nccs3)CCNC(=O)O2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
PDE4D Q08499 3/20 0.44
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL6582399 0.90 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL6584071 0.76 PDE4B (0.59) PDE4BPDE4DKMT2AMEN1PDE4A
SCHEMBL6588260 0.72 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL6585434 0.70 PDE4A (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL6584886 0.69 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL11435807 0.68 PDE4B (0.77) PDE4BPDE4DKMT2AMEN1PDE4A
SCHEMBL6586977 0.68 PDE4A (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL6584640 0.68 PDE4B (0.61) PDE4BPDE4DKMT2ASMN1; SMN2MEN1
SCHEMBL6582993 0.68 PDE4B (0.71) PDE4BPDE4DKMT2AMEN1MAPK1
SCHEMBL6584651 0.67 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C

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