SCHEMBL28599893

SCHEMBL28599893

C=Cc1ccc(O)c(C=Nc2ccccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPT P10636 9/20 0.41
KDM4E B2RXH2 8/20 0.41
HTT P42858 5/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 3/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
HPGD P15428 2/20 0.36
TRPA1 O75762 1/20 0.36
DHODH Q02127 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
POLB P06746 3/20 0.36

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
SCHEMBL28901365 0.81 MEN1 (0.59) CA12CA2CA9ALDH1A1MAPT
SCHEMBL27819876 0.79 MAPT (0.67) CA12CA2CA9ALDH1A1MAPT
SCHEMBL28516991 0.79 SIRT2 (0.51) CA2ALDH1A1MAPTKDM4ELMNA
SCHEMBL28219127 0.78 GAA (0.43) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL30266596 0.78 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL14103550 0.78 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL11743119 0.78 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL11743127 0.78 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL29690482 0.76 CA12 (0.45) CA12CA2CA9ALDH1A1MAPT
SCHEMBL12061658 0.73 MAPT (0.51) ALDH1A1MAPTKDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113145166-B Composite catalyst for preparing diol by epoxy alkane hydration 中国石油化工股份有限公司 2023-08-29 CN claimed
CN-113145166-A Composite catalyst for preparing glycol by hydrating alkylene oxide 中国石油化工股份有限公司 2021-07-23 CN claimed
CN-113145166-B Composite catalyst for preparing diol by epoxy alkane hydration 中国石油化工股份有限公司 2023-08-29 CN disclosed
CN-113145166-A Composite catalyst for preparing glycol by hydrating alkylene oxide 中国石油化工股份有限公司 2021-07-23 CN disclosed