SCHEMBL25679792

SCHEMBL25679792

Cc1nc(Br)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
STAT3 P40763 2/20 0.56
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 1/20 0.51
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
LMNA P02545 2/20 0.44
BRD4 O60885 2/20 0.44
POLB P06746 1/20 0.44
GRM5 P41594 1/20 0.44
LIPE Q05469 1/20 0.44
CCR5 P51681 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL30858374 0.83 SMN1; SMN2 (0.56) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL16491623 0.83 HTT (0.59) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL17544544 0.82 HTT (0.55) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL3947830 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL26460635 0.80 MAPT (0.43) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL2675108 0.80 LTA4H (0.58) SMN1; SMN2HTTL3MBTL1MAPTTDP1
SCHEMBL24992521 0.78 USP28 (0.43) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL2026551 0.78 SMN1; SMN2 (0.54) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL10650145 0.78 HTT (0.54) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL10651346 0.78 SMN1; SMN2 (0.54) SMN1; SMN2HTTSTAT3L3MBTL1MAPT

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
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed