SCHEMBL9320822

SCHEMBL9320822

O=C(O)Oc1ccncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
THRB P10828 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.35

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
SCHEMBL27805730 0.83 KDM4E (0.46) GAAMAPTKMT2AALOX15ROCK2
SCHEMBL377258 0.82 ALDH1A1 (0.39) GAAMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL9694189 0.81 KMT2A (0.50) MAPTKMT2AALOX15ALDH1A1L3MBTL1
SCHEMBL7068629 0.79 MAPT (0.36) GAAMAPTKMT2AALOX15ROCK2
SCHEMBL7603934 0.78 CA12 (0.39) GAAMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL485961 0.77 TDP1 (0.43) GAAMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL4633528 0.77 ALDH1A1 (0.53) GAAMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL27773816 0.75 GAA (0.37) GAAMAPTKMT2AROCK2ROCK1
SCHEMBL9670432 0.74 HTT (0.56) GAAMAPTKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11843856 0.74 PTK2B (0.49) MAPTKMT2AALDH1A1MEN1NPC1

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-0300461-B1 Aromatic heterocyclic peroxyacids AUSIMONT SPA (IT) 1994-01-12 EP claimed
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
EP-2886542-A1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles Dyomics GmbH (DE) 2015-06-24 EP disclosed