SCHEMBL28978071

SCHEMBL28978071

N#CC(Cc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.47
SLC6A4 P31645 1/20 0.47
CTNNB1 P35222 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
GALK1 P51570 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL14720291 0.79 CTNNB1 (0.47) PIP4K2ASLC6A4CTNNB1TDP1CYP1A2
SCHEMBL10729965 0.78 CTNNB1 (0.54) SLC6A4CTNNB1TDP1CYP1A2CYP2C19
SCHEMBL15096098 0.76 CTNNB1 (0.49) PIP4K2ACTNNB1TDP1CYP1A2CYP2C19
SCHEMBL7799765 0.76 ESR2 (0.54) SLC6A4CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL31450593 0.76 CTNNB1 (0.49) PIP4K2ACTNNB1TDP1CYP1A2CYP2C19
SCHEMBL10568568 0.76 ESR1 (0.47) SLC6A4CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL15096099 0.76 CTNNB1 (0.49) PIP4K2ACTNNB1TDP1CYP1A2CYP2C19
SCHEMBL10566955 0.76 MAP2K1 (0.41) SLC6A4CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL11567192 0.76 CTNNB1 (0.45) PIP4K2ASLC6A4CTNNB1TDP1CYP1A2
SCHEMBL197908 0.76 CTNNB1 (0.49) PIP4K2ACTNNB1TDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724891-B Mn-L manganese complex and preparation method and application thereof 浙江工业大学 2025-03-04 CN disclosed
CN-115724891-A Manganese complex Mn-L and preparation method and application thereof 浙江工业大学 2023-03-03 CN disclosed