SCHEMBL16613727

SCHEMBL16613727

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccccc43)nc3ccsc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
PTGER1 P34995 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL16613601 0.90 KDM4E (0.42) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613606 0.87 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613608 0.86 TUBB4A (0.33) MAPTALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL16613748 0.86 TUBB4A (0.34) MAPTALDH1A1HPGDSMN1; SMN2ADORA2A
SCHEMBL16613738 0.85 PDE4A (0.41) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613737 0.85 MAPT (0.36) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613729 0.84 ALDH1A1 (0.39) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL16613749 0.84 ENPP3 (0.34) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613607 0.84 MAPT (0.36) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613575 0.83 PTGER1 (0.31) ALDH1A1SMN1; SMN2PTGER1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed