SCHEMBL27870313

SCHEMBL27870313

CC(CC(C)(C)C)c1ccccc1-c1ccccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.40
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DPP4 P27487 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 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
SCHEMBL6151172 0.88 IRAK4 (0.44) BCAT2KEAP1NFE2L2IRAK4HTT
SCHEMBL28052831 0.79 IRAK4 (0.33) BCAT2KEAP1NFE2L2IRAK4HTT
SCHEMBL28252036 0.79 KMT2A (0.44) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL29493488 0.79 BCAT2 (0.53) BCAT2KEAP1NFE2L2IRAK4HTT
Acetic Acid SCHEMBL8910187 0.75 BCAT2 (0.53) BCAT2KEAP1NFE2L2IRAK4HTT
SCHEMBL542487 0.74 NPC1 (0.43) KMT2ACHRM2
SCHEMBL5918491 0.73 RIPK1 (0.43) ALDH1A1HPGDTSHRLMNACHRM2
SCHEMBL30514077 0.73 BCAT2 (0.74) BCAT2KEAP1NFE2L2IRAK4KDM4E
SCHEMBL210767 0.73 BCAT2 (0.74) BCAT2KEAP1NFE2L2IRAK4KDM4E
SCHEMBL31012518 0.71 BCAT2 (0.71) BCAT2KEAP1NFE2L2IRAK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107041367-B Synergistic fungicidal active combinations 拜耳作物科学股份公司 2019-11-12 CN disclosed
CN-107041367-A Synergistic fungicidal active combinations 拜耳知识产权有限责任公司 2017-08-15 CN disclosed
CN-104719329-B Synergistic fungicidal active combinations 拜尔农作物科学股份公司 2017-01-11 CN disclosed
CN-104170838-B Active agent combinations BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2016-03-30 CN disclosed
CN-104719329-A Synergistic fungicidal active combinations BAYER CROPSCIENCE AG 2015-06-24 CN disclosed
CN-102640756-B Synergistic fungicidal active combinations BAYER CROPSCIENCE AG 2015-02-18 CN disclosed
CN-104170838-A ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG 2014-12-03 CN disclosed
CN-101237777-B Active substance combinations BAYER CROPSCIENCE AG 2014-11-19 CN disclosed
CN-101212899-B Carboxamides BAYER CROPSCIENCE AG 2012-11-21 CN disclosed
CN-101232808-B Synergistic fungicidal active substance combinations containing a carboxamide, an azole, a second azole or a strobilurine BAYER CROPSCIENCE AG 2012-09-05 CN disclosed