SCHEMBL28429231

SCHEMBL28429231

Cc1ccc2c(c1)c(=O)n(-c1cccc3cccnc13)c1ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 0.39
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
FABP1 P07148 1/20 0.38
HTR1A P08908 2/20 0.37

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
SCHEMBL28432349 0.87 MAT2A (0.45) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL26045874 0.87 GAA (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28430750 0.82 GAA (0.50) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28436842 0.82 CYP1A2 (0.50) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28429237 0.74 CYP1A2 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL21636034 0.73 CYP1A2 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL21636036 0.73 CYP2C19 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28426491 0.73 CYP1A2 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28430747 0.73 CYP1A2 (0.45) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL28432293 0.73 CYP1A2 (0.45) ALDH1A1GAAMEN1KMT2AKDM4E

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-109320497-B Method for preparing phenanthridinone compound by copper compound induction 广州大学 2020-07-31 CN disclosed