SCHEMBL22136337

SCHEMBL22136337

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c(c5)ncc5ccccc56)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
LIMK1 P53667 2/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
PIK3CA P42336 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL22136067 0.96 KDM4E (0.38) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136093 0.95 ALOX5 (0.37) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22135991 0.95 LIMK1 (0.37) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136332 0.92 MAPT (0.39) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136049 0.91 KDM4E (0.38) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136112 0.90 KDM4E (0.38) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136194 0.90 KDM4E (0.33) KDM4EGPR3ALOX5PIK3CAPIK3CD
SCHEMBL22136063 0.88 MAPT (0.39) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22136040 0.87 KDM4E (0.38) KDM4EGPR3MAPTRAB9ASMN1; SMN2
SCHEMBL22135990 0.87 MAPK10 (0.39) KDM4EGPR3MAPTRAB9ASMN1; SMN2

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-2020130553-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed