SCHEMBL28847253

SCHEMBL28847253

N#CCc1ccc(F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 4/20 0.37
AGXT P21549 2/20 0.37
MAPT P10636 2/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
MPO P05164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL28847195 0.98 ALDH1A1 (0.39) ALDH1A1IDO1AGXTMAPTSLC6A4
SCHEMBL16129059 0.84 ALDH1A1 (0.45) ALDH1A1IDO1AGXTMAPTSLC6A4
SCHEMBL29700948 0.79 IDO1 (0.48) ALDH1A1IDO1AGXTMAPTSLC6A4
SCHEMBL548158 0.79 IDO1 (0.48) ALDH1A1IDO1AGXTMAPTSLC6A4
SCHEMBL27629431 0.78 MPO (0.40) ALDH1A1IDO1AGXTMAPTSLC6A4
Hydrochloric Acid SCHEMBL17204528 0.78 IDO1 (0.50) ALDH1A1IDO1AGXTMAPTSLC6A4
SCHEMBL3076688 0.78 CA3 (0.46) IDO1AGXTMAPTSLC6A4MPO
SCHEMBL865700 0.76 ALDH1A1 (0.48) ALDH1A1IDO1AGXTSLC6A4SLC6A2
SCHEMBL31533623 0.76 MAOA (0.38) IDO1AGXTMAPTSLC6A4MPO
SCHEMBL2286658 0.76 P2RX7 (0.38) ALDH1A1IDO1AGXTMAPTSLC6A4

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-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN disclosed