SCHEMBL28977964

SCHEMBL28977964

CCOC(=O)c1nc2ccccc2c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 5/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ELANE P08246 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL4121482 0.83 POLB (0.56) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL28341789 0.80 ELANE (0.48) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL6822555 0.79 KDM4E (0.53) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL6822680 0.78 KDM4E (0.55) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL753481 0.78 POLB (0.51) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL8946304 0.77 ALDH1A1 (0.61) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL14352067 0.77 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL30572435 0.77 KDM4E (0.57) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL29267711 0.77 MEN1 (0.58) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL26674740 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1LMNAKDM4E

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-115710227-A Preparation method of indenoisoquinoline derivative 广东工业大学 2023-02-24 CN disclosed