SCHEMBL29620894

SCHEMBL29620894

FC(F)(F)c1ccc(-n2cc(Br)nn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
SMO Q99835 3/20 0.38
NOTUM Q6P988 1/20 0.37
RXRA P19793 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL22925738 1.00 HDAC4 (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL28733649 0.79 NOTUM (0.46) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL29621141 0.79 NOTUM (0.46) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL22925925 0.76 MAPT (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL29559433 0.76 MAPT (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL22925831 0.76 HDAC4 (0.49) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL29620876 0.76 HDAC4 (0.49) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12805020 0.73 KDM4E (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL29559680 0.73 KDM4E (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL22897587 0.73 MAPT (0.40) HDAC4SMN1; SMN2MAPTKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed