SCHEMBL28219643

SCHEMBL28219643

O=C(OCc1ccccc1)C1C=Cc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX4 Q99571 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40
IDO1 P14902 4/20 0.40
TDO2 P48775 2/20 0.39
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL29165232 0.81 POLB (0.42) FABP7FABP5P2RX4ALDH1A1MAPK1
SCHEMBL27581285 0.77 FABP7 (0.47) FABP7FABP5P2RX4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7435031 0.76 MAPT (0.39) P2RX4ALDH1A1MAPK1KMT2ATDP1
SCHEMBL21168407 0.73 EGLN1 (0.49) FABP7FABP5L3MBTL1KMT2ATDP1
SCHEMBL31301236 0.72 MAPT (0.38) P2RX4ALDH1A1MAPK1KMT2ATSHR
SCHEMBL27348437 0.72 MAPT (0.38) P2RX4ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL27965612 0.71 MAPT (0.36) P2RX4ALDH1A1MAPK1TSHRIDO1
SCHEMBL19225929 0.70 EGLN1 (0.47) FABP7FABP5ALDH1A1MAPK1L3MBTL1
SCHEMBL6061403 0.70 FABP7 (0.46) FABP7FABP5ALDH1A1MAPK1L3MBTL1
SCHEMBL9115105 0.69 FABP7 (0.44) FABP7FABP5P2RX4ALDH1A1MAPK1

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-108137505-A Nitrogen-containing heterocycle compound 富士胶片株式会社 2018-06-08 CN disclosed