SCHEMBL28093291

SCHEMBL28093291

CNC(=O)COCc1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL7784387 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNABCHEACHE
SCHEMBL8422353 0.83 ALDH1A1 (0.52) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL8592978 0.81 SMN1; SMN2 (0.54) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL28001736 0.80 ALDH1A1 (0.50) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL13794084 0.79 KDM4E (0.51) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL28334171 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL7788740 0.78 TSHR (0.56) SMN1; SMN2HTTLMNAPTGDR2ALDH1A1
SCHEMBL3499125 0.78 MEN1 (0.48) SMN1; SMN2HTTLMNAPOLBPTGDR2
SCHEMBL18749785 0.77 MRGPRX4 (0.48) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL27798203 0.77 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNAPTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427001-A Fungicidal active substance combinations 拜耳作物科学股份公司 2017-12-01 — — CN claimed
CN-110248941-A The imidazopyridine derivatives that aryl or heteroaryl replace and its purposes as pesticide 拜耳公司 2019-09-17 — — CN disclosed
CN-109996796-A The imidazolyl methyl epoxyethane derivative that 5- as fungicide replaces 拜耳作物科学股份公司 2019-07-09 — — CN disclosed
CN-109996789-A 1, 5-substituted imidazole derivatives as fungicides for crop protection 拜耳作物科学股份公司 2019-07-09 — — CN disclosed
CN-109983010-A 1- [2- (1- chlorine cyclopropyl) -2- hydroxyl -3- (3- phenyl -1,2- oxazole -5- base) propyl] -1H- imidazoles -5- 6-carbonitrile derivatives and related compound as the fungicide for crop protection 拜耳作物科学股份公司 2019-07-05 — — CN disclosed
CN-109982999-A The imidazolyl methyl-derivatives that new 5- replaces 拜耳作物科学股份公司 2019-07-05 — — CN disclosed
CN-109983000-A NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES 拜耳作物科学股份公司 2019-07-05 — — CN disclosed
CN-109843065-A Active agent combinations comprising the 5- imdazole derivatives replaced 拜耳作物科学股份公司 2019-06-04 — — CN disclosed
CN-105722830-B Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-06-04 — — CN disclosed
CN-105473558-B Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-04-19 — — CN disclosed
CN-109071507-A Substituted imidazoles yl-carboxamides as pest control agent 拜耳作物科学股份公司 2018-12-21 — — CN disclosed
CN-106232579-B As insecticide and acaricidal indole carboxamides and benzimidazole-carboxamide 拜耳作物科学股份公司 2018-11-23 — — CN disclosed
CN-108602819-A Mesoionically halogenated 3- (acetyl) -1- [ (1, 3-thiazol-5-yl) methyl ] -1H-imidazo [1, 2-a ] pyridin-4-ium-2-alkoxide derivatives and related compounds as pesticides 拜耳作物科学股份公司 2018-09-28 — — CN disclosed
CN-106232579-A As insecticide and acaricidal indole carboxamides and benzimidazole-carboxamide 拜耳作物科学股份公司 2016-12-14 — — CN disclosed
CN-103987252-B Pesticidal preparations and manufacture method thereof 拜耳知识产权有限责任公司 2016-08-17 — — CN disclosed
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