SCHEMBL17080299

SCHEMBL17080299

[c]1[c]nn(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
GAA P10253 2/20 0.36
P2RX7 Q99572 1/20 0.34
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAOA P21397 1/20 0.33
HPGDS O60760 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 3/20 0.31
PTGS2 P35354 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL796144 0.68 NOTUM (0.43) NOTUMGAAP2RX7HPGDKDM4E
SCHEMBL430176 0.65 GAA (0.42) NOTUMGAAP2RX7HPGDKDM4E
SCHEMBL69609 0.64 NOTUM (0.39) NOTUMGAAP2RX7HPGDKDM4E
SCHEMBL496797 0.64 NOTUM (0.43) NOTUMGAAP2RX7HPGDKDM4E
SCHEMBL28777159 0.62 ADORA1 (0.40) NOTUMGAAHPGDKDM4EL3MBTL1
SCHEMBL4717229 0.61 GAA (0.47) NOTUMGAAP2RX7HPGDKDM4E
SCHEMBL274416 0.61 NOTUM (0.39) NOTUMGAAP2RX7KDM4EL3MBTL1
SCHEMBL1901000 0.61 NPC1 (0.39) NOTUMGAAHPGDKDM4EL3MBTL1
SCHEMBL1323074 0.60 PTGS2 (0.42) NOTUMP2RX7HPGDKDM4EHSD17B10
SCHEMBL698253 0.59 KDM4E (0.43) NOTUMGAAP2RX7HPGDKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO disclosed