SCHEMBL30318890

SCHEMBL30318890

O=[N+]([O-])c1c(OCc2ccccc2)ccc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPD P32754 2/20 0.46
MGMT P16455 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 4/20 0.43
RAB9A P51151 2/20 0.42
PPIA P62937 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL21487362 1.00 MAPT (0.46) MAPTMEN1KMT2AHPDMGMT
SCHEMBL3614237 0.83 MAPT (0.49) MAPTMEN1KMT2AHPDMGMT
SCHEMBL31285352 0.83 MAPT (0.46) MAPTMEN1KMT2AHPDMGMT
SCHEMBL28231949 0.81 HPD (0.51) MAPTMEN1KMT2AHPDMGMT
SCHEMBL27750368 0.81 RAB9A (0.45) MAPTMEN1KMT2AHPDMGMT
SCHEMBL23886681 0.81 MAPT (0.46) MAPTMEN1KMT2AHPDMGMT
SCHEMBL31448596 0.81 MAPT (0.46) MAPTMEN1KMT2AHPDMGMT
SCHEMBL1559731 0.80 MAPT (0.66) MAPTMEN1KMT2AHPDSMN1; SMN2
SCHEMBL1559732 0.79 MAPT (0.43) MAPTMEN1KMT2AHPDMGMT
SCHEMBL27739041 0.79 CTSV (0.49) MAPTMEN1KMT2AMGMTSMN1; SMN2

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-112351986-B Crystals of benzoxazole derivative 明治制果药业株式会社 2023-04-18 CN disclosed