SCHEMBL28656367

SCHEMBL28656367

CNc1cc(Br)cc(OC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
PLAU P00749 2/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
GLA P06280 1/20 0.33
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
LMNA P02545 3/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL12127949 0.81 ALDH1A1 (0.38) GLARORCRORBLMNANPC1
SCHEMBL387559 0.81 ALDH1A1 (0.38) PLAUF2PLGPLATKLKB1
SCHEMBL16271800 0.78 ALDH1A1 (0.42) HTR6LMNANPC1RAB9ASMN1; SMN2
SCHEMBL15934238 0.77 PLAU (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL21087012 0.77 GAA (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL20523542 0.76 RIPK2 (0.41) HTR6PLAUF2PLGPLAT
SCHEMBL15095752 0.74 FFAR4 (0.37) RORCRORBLMNANPC1NFKB1
SCHEMBL12178544 0.74 ALDH1A1 (0.48) RORCRORBLMNARAB9AALDH1A1
SCHEMBL1109742 0.73 HTR6 (0.44) HTR6
SCHEMBL24269911 0.73 RORC (0.30) RORCRORB

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-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed
CN-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed