SCHEMBL21159900

SCHEMBL21159900

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3ccc(-c4ncccn4)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL21160270 0.94 MAPT (0.43) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL27455889 0.91 MAPT (0.44) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL20407052 0.91 MAPT (0.46) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL17598523 0.89 KDM4E (0.45) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL21131855 0.88 MAPT (0.43) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL17829420 0.87 MAPT (0.44) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL21159958 0.86 MAPT (0.44) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL21131514 0.85 MAPT (0.45) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL22414081 0.85 MAPT (0.45) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL30808406 0.85 MAPT (0.45) MAPTSMN1; SMN2NPC1LMNARAB9A

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-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed