SCHEMBL21391914

SCHEMBL21391914

CC1Nc2ccccc2C1C[C@H](N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.57
TDO2 P48775 2/20 0.57
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KIF11 P52732 4/20 0.35
EGFR P00533 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL1520143 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520128 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520641 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520371 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520107 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520216 0.82 IDO1 (0.56) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520250 0.81 IDO1 (0.54) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520206 0.81 IDO1 (0.54) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520135 0.81 IDO1 (0.54) IDO1TDO2ALPIPKMPTGS1
SCHEMBL1520246 0.81 IDO1 (0.54) IDO1TDO2ALPIPKMPTGS1

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
WO-2019181830-A1 METHOD FOR JUDGING PSYCHIATRIC DISORDER 富士フイルム和光純薬株式会社 2019-09-26 WO disclosed