SCHEMBL28347002

SCHEMBL28347002

C#Cc1ccccc1-c1ccccc1NC(=O)c1c(C)nn(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATR Q13535 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL27719728 0.89 TSHR (0.40) NR3C1ALDH1A1MEN1KMT2AHTT
SCHEMBL29419120 0.85 ALDH1A1 (0.45) NR3C1ALDH1A1MEN1KMT2AHTT
SCHEMBL121859 0.85 ALDH1A1 (0.45) NR3C1ALDH1A1MEN1KMT2AHTT
SCHEMBL27737486 0.83 NR3C1 (0.48) NR3C1ALDH1A1MEN1KMT2AHTT
SCHEMBL11930691 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL1134827 0.82 CHRM3 (0.46) ALDH1A1MEN1KMT2AHTTKDM4C
SCHEMBL29445384 0.82 CHRM3 (0.46) ALDH1A1MEN1KMT2AHTTKDM4C
SCHEMBL13455819 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTKDM4C
SCHEMBL4447577 0.80 HPGD (0.42) ALDH1A1MEN1KMT2AHTTKDM4C
SCHEMBL4446426 0.80 CYP1A2 (0.45) NR3C1ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109169661-B Compositions comprising biological control agents and insecticides 拜耳作物科学股份公司 2021-09-21 CN claimed
CN-114158553-B Novel pesticide preparation and preparation method thereof 南开沧州渤海新区绿色化工研究有限公司 2023-02-21 CN disclosed
CN-108276358-B N-arylamidine substituted trifluoroethyl sulfide derivatives as acaricides and insecticides 拜尔农作物科学股份公司 2021-11-02 CN disclosed
CN-107996613-B Compositions comprising biological control agents and pesticides 拜尔农作物科学股份公司 2021-10-22 CN disclosed
CN-109169661-B Compositions comprising biological control agents and insecticides 拜耳作物科学股份公司 2021-09-21 CN disclosed
CN-113226040-A Compositions and methods for reducing pesticide-induced plant damage and increasing plant yield 美国赛多美科技有限公司 2021-08-06 CN disclosed
CN-107926985-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-02-02 CN disclosed
CN-106962403-B Compositions comprising biological control agents and pesticides 拜耳作物科学股份公司 2020-05-05 CN disclosed
CN-110678076-A Plant treatment products and related methods 美国赛多美科技有限公司 2020-01-10 CN disclosed