SCHEMBL8725290

SCHEMBL8725290

CCOc1cc(Nc2[c]cccc2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
FBP1 P09467 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
AURKA O14965 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.37
WDR5 P61964 1/20 0.37
EGFR P00533 5/20 0.37
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL8725293 0.80 IDO1 (0.42) POLBFBP1L3MBTL1ALDH1A1TSHR
SCHEMBL8725862 0.77 MAPT (0.49) POLBL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL8727112 0.74 ABCG2 (0.46) ALDH1A1KDM4EHTTEGFRMAPT
SCHEMBL3932390 0.69 NPC1 (0.41) POLBL3MBTL1ALDH1A1TSHRKDM4E
SCHEMBL1539296 0.69 L3MBTL1 (0.53) POLBL3MBTL1ALDH1A1TSHRKDM4E
SCHEMBL693995 0.68 RAPGEF4 (0.45) ALDH1A1TSHRKDM4EIDO1EGFR
SCHEMBL8725838 0.68 EGFR (0.39) ALDH1A1TSHRKDM4ELMNAHTT
SCHEMBL17604220 0.68 HPGD (0.43) POLBL3MBTL1ALDH1A1TSHRKDM4E
SCHEMBL8723583 0.68 APOBEC3A (0.52) POLBALDH1A1KDM4ELMNAEGFR
SCHEMBL7655071 0.67 NQO1 (0.44) POLBL3MBTL1ALDH1A1KDM4ELMNA

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-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed