SCHEMBL22989100

SCHEMBL22989100

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5cccc6oc7cccc8ccc3c(c87)c4c56)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 5/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
LMNA P02545 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
POLB P06746 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 5/20 0.32
TP53 P04637 2/20 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
SCHEMBL20276565 0.91 GP6 (0.31) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL22988958 0.89 L3MBTL1 (0.34) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL23874714 0.88 L3MBTL1 (0.40) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL23874712 0.86 TSHR (0.35) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL23287862 0.85 PGR (0.36) L3MBTL1KDM4EMAPTKMT2AMEN1
SCHEMBL16870662 0.84 L3MBTL1 (0.42) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL22988904 0.84 MEN1 (0.39) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL24245708 0.84 ALDH1A1 (0.37) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL23874715 0.83 NPC1 (0.35) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL22989258 0.83 MEN1 (0.38) L3MBTL1KDM4EMAPTSMN1; SMN2RAB9A

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed