SCHEMBL16720217

SCHEMBL16720217

c1cc(-n2cccc2)c2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.52
▸ MAPT P10636 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ FLT3 P36888 1/20 0.45

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
SCHEMBL30061113 0.72 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL276869 0.72 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL3064844 0.71 NOS1 (0.63) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL16719662 0.70 NOS1 (0.52) NOS1MAPTHSP90AA1IDO1CDK2
SCHEMBL14231151 0.70 NOS1 (0.61) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL16719842 0.69 AHR (0.48) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL16720036 0.69 NOS1 (0.39) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL276868 0.68 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL1911926 0.68 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E
SCHEMBL655480 0.68 NOS1 (0.59) NOS1MAPTHSD17B10TDP1KDM4E

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 — — EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — WO disclosed
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