SCHEMBL8123552

SCHEMBL8123552

O=C(O)c1cc(O)c2c(F)ccc(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 3/20 0.43
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
IGFBP5 P24593 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
GPR35 Q9HC97 2/20 0.36
ACMSD Q8TDX5 1/20 0.35
PIK3CA P42336 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8123570 0.81 GPR35 (0.49) KDM4EALOX15TSHRTDP1KMO
SCHEMBL6893457 0.81 NQO2 (0.41) KDM4ETDP1MAPTLMNA
SCHEMBL3328166 0.77 MGAM (0.42) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL3333164 0.77 GRM2 (0.48) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL3329400 0.77 IGFBP5 (0.41) IGFBP3KDM4EALOX15TSHRHIF1A
SCHEMBL31550535 0.75 ALOX15 (0.41) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL31550536 0.75 ALOX15 (0.41) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL10717399 0.75 ALOX15 (0.41) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL13313445 0.75 ALOX15 (0.52) IGFBP3KDM4EKMT2AALOX15TSHR
SCHEMBL3332175 0.74 HSD17B14 (0.42) IGFBP3KDM4EALOX15TSHRHIF1A

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-1000060-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999002528-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 WO disclosed