SCHEMBL21159958

SCHEMBL21159958

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ncccn4)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 2/20 0.42
ABCG2 Q9UNQ0 4/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL21131855 0.95 MAPT (0.43) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL21160270 0.92 MAPT (0.43) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL23633430 0.89 MAPT (0.44) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL23633695 0.89 MAPT (0.46) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL17598598 0.87 HSD17B10 (0.41) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL21131514 0.87 MAPT (0.45) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL18965346 0.87 MAPT (0.45) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL30808406 0.87 MAPT (0.45) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL21159900 0.86 MAPT (0.43) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL22639497 0.85 MAPT (0.44) MAPTSMN1; SMN2LMNANPC1RECQL

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