SCHEMBL8466205

SCHEMBL8466205

COc1ccc(CCc2nc3c(O)n(-c4ccc(C(F)(F)F)cc4)nc3c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.42
CCR3 P51677 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CXCR3 P49682 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AHR P35869 1/20 0.36
TP53 P04637 1/20 0.36
P2RX3 P56373 1/20 0.36
BACE1 P56817 1/20 0.36
NPBWR1 P48145 1/20 0.36
RECQL P46063 1/20 0.36
FABP4 P15090 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL8319664 0.80 ADORA1 (0.52) ACP1
SCHEMBL8324351 0.78 MAPT (0.46) KDM4EALDH1A1CXCR3MEN1KMT2A
SCHEMBL8328108 0.73 MAPT (0.40) KDM4ERAB9A
SCHEMBL10900630 0.69 MEN1 (0.63) RAB9AMEN1KMT2AAHRNPBWR1
SCHEMBL3650858 0.69 GABRA1 (0.52) ACP1CXCR3TP53NPBWR1
SCHEMBL8324694 0.69 MAPT (0.40) KDM4ERAB9A
Water SCHEMBL8459983 0.67 NR3C1 (0.34) AHRTP53BACE1NPBWR1RECQL
SCHEMBL8322607 0.67 MEN1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8466131 0.66 MAPT (0.42) KDM4ERAB9A
SCHEMBL4112905 0.66 PPARA (0.46) MEN1KMT2ANPBWR1

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
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed