SCHEMBL22223097

SCHEMBL22223097

c1ccc(-n2cc(-c3ccc(-n4cccn4)c4ccccc34)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 17/20 0.58
KCNH2 Q12809 2/20 0.58
HTR2B P41595 1/20 0.58
MTNR1A P48039 1/20 0.58
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
GRM2 Q14416 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL15942032 0.73 GRM4 (1.00) GRM4KCNH2HTR2BMTNR1A
SCHEMBL26669237 0.73 GAA (0.52) GRM4KCNH2HTR2BMTNR1ANPC1
SCHEMBL2564487 0.72 GRM4 (0.47) GRM4KCNH2HTR2BMTNR1ANPC1
SCHEMBL27250 0.70 NOTUM (0.65) NPC1MAPK1MEN1ALDH1A1MAPT
SCHEMBL12482463 0.69 GRM4 (0.78) GRM4KCNH2HTR2BMTNR1A
SCHEMBL515503 0.69 GAA (0.59) GRM4KCNH2HTR2BMTNR1ANPC1
SCHEMBL6428811 0.68 NOTUM (0.63) NPC1MAPK1MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL15510676 0.68 NOTUM (0.63) NPC1MAPK1MEN1ALDH1A1MAPT
SCHEMBL842039 0.68 NOTUM (0.63) NPC1MAPK1MEN1ALDH1A1MAPT
SCHEMBL28493417 0.68 NOTUM (0.63) NPC1MAPK1MEN1ALDH1A1MAPT

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
US-20200227644-A1 ORGANIC LIGHT-EMITTING DIODE OPERABLE AT LOW VOLTAGE WITH HIGH EFFICIENCY AND LONG LIFETIME SFC CO., LTD. (KR) 2020-07-16 US disclosed