SCHEMBL28469366

SCHEMBL28469366

Cc1ccc2nc(NCc3ccccc3)c([N+](=O)[O-])c(C(=O)Nc3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
CTNNB1 P35222 14/20 0.49
TCF7L2 Q9NQB0 14/20 0.49
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL28469466 0.94 CTNNB1 (0.56) CTNNB1TCF7L2
SCHEMBL28462522 0.84 MAPT (0.47) MAPTBLMNPSR1TDP1L3MBTL1
SCHEMBL28462520 0.82 CTNNB1 (0.58) L3MBTL1SMN1; SMN2CTNNB1TCF7L2EGFR
SCHEMBL28469365 0.80 SMN1; SMN2 (0.56) MAPTBLMNPSR1TDP1L3MBTL1
SCHEMBL28465329 0.79 CYP1A2 (0.49) MAPTL3MBTL1SMN1; SMN2CTNNB1TCF7L2
SCHEMBL28463573 0.78 LMNA (0.48) MAPTSMN1; SMN2MAPK1EGFR
SCHEMBL28459657 0.78 EGFR (0.47) MAPTL3MBTL1SMN1; SMN2CTNNB1TCF7L2
SCHEMBL28460390 0.78 EGFR (0.55) MAPTL3MBTL1SMN1; SMN2MAPK1EGFR
SCHEMBL28462704 0.74 BRD4 (0.42) MAPTTDP1L3MBTL1SMN1; SMN2CTNNB1
SCHEMBL28462514 0.73 HTT (0.47) MAPTL3MBTL1CTNNB1TCF7L2EGFR

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-107522659-B 3-nitroquinoline derivative and preparation method and application thereof 云南大学 2020-09-29 CN disclosed