SCHEMBL28632167

SCHEMBL28632167

COc1cnc(OC)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.36
NNMT P40261 2/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 2/20 0.36
PIK3CA P42336 3/20 0.35
SIRT6 Q8N6T7 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CACNA2D1 P54289 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31

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
SCHEMBL30505746 1.00 RECQL (0.36) RECQLNNMTHTTPDE10APIK3CA
SCHEMBL4264185 0.82 RECQL (0.40) RECQLNNMTHTTPDE10APIK3CA
SCHEMBL17431082 0.81 NNMT (0.38) RECQLNNMTHTTPDE10APIK3CA
SCHEMBL10085406 0.80 CCR4 (0.40) RECQLHTTPIK3CA
SCHEMBL1487932 0.79 CCR4 (0.40) RECQLHTTPDE10APIK3CAKMT2A
SCHEMBL16178498 0.76 LMNA (0.40) NNMTPIK3CASIRT6
SCHEMBL30294839 0.76 LMNA (0.40) NNMTPIK3CASIRT6
SCHEMBL11227327 0.76 NNMT (0.35) NNMTHTTPIK3CASIRT6MAPT
SCHEMBL11223761 0.76 SIRT6 (0.33) RECQLHTTPDE10ASIRT6POLB
SCHEMBL27677660 0.76 NNMT (0.35) NNMTHTTPIK3CASIRT6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-213854573-U 2, 5-dimethoxy-3-methylpyrazine reaction kettle 滕州市悟通香料有限责任公司 2021-08-03 CN claimed
CN-116675650-B Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-10-31 CN disclosed
CN-116675650-A Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-09-01 CN disclosed
CN-213854573-U 2, 5-dimethoxy-3-methylpyrazine reaction kettle 滕州市悟通香料有限责任公司 2021-08-03 CN disclosed
CN-213854573-U 2, 5-dimethoxy-3-methylpyrazine reaction kettle 滕州市悟通香料有限责任公司 2021-08-03 CN disclosed
CN-213854573-U 2, 5-dimethoxy-3-methylpyrazine reaction kettle 滕州市悟通香料有限责任公司 2021-08-03 CN disclosed