SCHEMBL22136120

SCHEMBL22136120

c1ccc(-c2ccc(-c3cc(-c4cc(-c5cnc6ccc7ccccc7c6c5)cc5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.46
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MET P08581 6/20 0.38
KCNH2 Q12809 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL22136189 0.93 MAPK10 (0.37) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22135993 0.91 MAPK10 (0.49) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22136111 0.90 MAPK10 (0.47) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22136035 0.89 MAPK10 (0.48) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22136327 0.87 MAPK10 (0.38) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22136322 0.87 LIMK1 (0.35) MAPK10MAPTNPC1LMNARAB9A
SCHEMBL23730938 0.86 MEN1 (0.47) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL22136095 0.86 MAPK10 (0.46) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22135990 0.83 MAPK10 (0.39) MAPK10MAPTNPC1LMNARECQL
SCHEMBL22136116 0.83 MAPK10 (0.38) MAPK10MAPTLMNAALDH1A1HPGD

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