SCHEMBL29690482

SCHEMBL29690482

Nc1ccccc1N=Cc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 8/20 0.44
MAPT P10636 12/20 0.42
KMT2A Q03164 10/20 0.42
KDM4E B2RXH2 9/20 0.42
MEN1 O00255 7/20 0.42
GAA P10253 6/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
ALOX12 P18054 2/20 0.39

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
Acetic Acid SCHEMBL1227555 0.81 CA12 (0.46) CA12CA2CA9ALDH1A1MAPT
SCHEMBL27819876 0.78 MAPT (0.67) CA12CA2CA9ALDH1A1MAPT
SCHEMBL30266596 0.77 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL11743127 0.77 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL14103550 0.77 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL11743119 0.77 CA12 (0.75) CA12CA2CA9ALDH1A1MAPT
SCHEMBL28599893 0.76 CA12 (0.46) CA12CA2CA9ALDH1A1MAPT
SCHEMBL12657762 0.75 MAPT (0.66) CA12CA2CA9ALDH1A1MAPT
Acetic Acid SCHEMBL1229445 0.75 KMT2A (0.42) CA12CA2CA9ALDH1A1MAPT
Acetic Acid SCHEMBL1228996 0.74 PHGDH (0.40) CA12CA2CA9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585632-A Catalyst composition for the manufacture of cyclic carbonates from CO2 and olefins PTT全球化学股份有限公司 2022-06-03 CN disclosed