SCHEMBL27828215

SCHEMBL27828215

CCOC(C(=O)O)c1cccc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ LMNA P02545 5/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ MAPT P10636 3/20 0.41

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
SCHEMBL5125459 0.79 KDM4E (0.47) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL27588126 0.79 KDM4E (0.49) KMT2AKDM4EALDH1A1HSD17B10HTT
SCHEMBL27771442 0.77 HPGD (0.44) KMT2AKDM4EALDH1A1HPGDHTT
SCHEMBL27522882 0.75 KDM4E (0.52) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL27592501 0.75 FFAR1 (0.40) KDM4EL3MBTL1
SCHEMBL30885344 0.75 KDM4E (0.52) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL8686129 0.74 PARP1 (0.49) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL27503970 0.72 ALDH1A1 (0.51) KMT2APOLBKDM4EALDH1A1MEN1
SCHEMBL28193413 0.71 NPC1 (0.40) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL20889269 0.71 PARP1 (0.46) KMT2APOLBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102227162-A Herbicide-safener combination BAYER CROPSCIENCE AG 2011-10-26 — — CN claimed
CN-103641709-B The ketone enol replaced by haloalkyl methylene phenyl 拜耳知识产权有限责任公司 2017-08-25 — — CN disclosed
CN-102264226-B Bicyclooctane-1, the 3-derovatives of phenyl-replacement BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 — — CN disclosed
CN-102348684-B Ketoenoles substituted by haloalkylmethyleneoxyphenyl groups BAYER CROPSCIENCE AG 2014-11-12 — — CN disclosed
CN-103641709-A Halogenalkylmethylenoxy-phenyl-substituted ketoenols BAYER CROPSCIENCE AG 2014-03-19 — — CN disclosed
CN-103037696-A Method for increasing the health of a plant BASF SE 2013-04-10 — — CN disclosed
CN-102348684-A Ketoenoles substituted by haloalkylmethyleneoxyphenyl groups BAYER CROPSCIENCE AG 2012-02-08 — — CN disclosed
CN-102264226-A Phenyl-substituted bicyclooctane-1,3-dione derivatives — 2011-11-30 — — CN disclosed
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