SCHEMBL5268656

SCHEMBL5268656

CCOC(=O)c1ncccc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL30852245 1.00 BRD4 (0.53) BRD4KMT2AMEN1GAASMN1; SMN2
SCHEMBL13348591 0.86 BRD4 (0.53) BRD4KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1707917 0.84 KDM4E (0.53) BRD4KMT2AMEN1GAASMN1; SMN2
SCHEMBL17028439 0.84 L3MBTL1 (0.53) KMT2ASMN1; SMN2LMNAMAPTTDP1
SCHEMBL31471103 0.83 BRD4 (0.60) BRD4KMT2AMEN1POLBPDE4A
SCHEMBL27492257 0.82 BRD4 (0.58) BRD4MAPTPDE4ATDP2CYP1A2
SCHEMBL29781451 0.80 RAB9A (0.40) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL31307011 0.80 BRD4 (0.53) BRD4POLBLMNAMAPTPDE4A
SCHEMBL13313473 0.79 BRD4 (0.56) BRD4PDE4ATDP1TDP2RAB9A
SCHEMBL7267932 0.79 BRD4 (0.56) BRD4SMN1; SMN2PDE4ATDP1TDP2

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-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP disclosed