SCHEMBL28366757

SCHEMBL28366757

c1ccc2oc(Sc3nc4ccccc4o3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.59
ADRA2C P18825 1/20 0.59
KMT2A Q03164 6/20 0.58
LMNA P02545 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 3/20 0.58
POLB P06746 1/20 0.58
GFER P55789 1/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 2/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL28822248 0.90 KMT2A (0.55) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL10587516 0.88 DDAH1 (0.53) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL4188069 0.86 DDAH1 (0.59) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL16237419 0.84 DDAH1 (0.62) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL31155591 0.83 ELANE (0.58) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL12774716 0.83 DDAH1 (0.56) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL4825241 0.83 DDAH1 (0.56) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL4188076 0.83 DDAH1 (0.56) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL6246856 0.83 DDAH1 (0.56) DDAH1ADRA2CKMT2ALMNAALDH1A1
SCHEMBL303847 0.83 ELANE (0.58) DDAH1ADRA2CKMT2ALMNAALDH1A1

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
CN-108135174-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-05-04 CN disclosed
CN-108290832-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-27 CN disclosed
CN-108137489-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-20 CN disclosed
CN-110914250-A Novel process for synthesizing felicoxib 珂思玛股份公司 2020-03-24 CN disclosed