SCHEMBL21765729

SCHEMBL21765729

C1=Cc2c([nH]c3ccc(-c4ccccc4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
JAK2 O60674 1/20 0.39
CDC42 P60953 1/20 0.37
AXL P30530 1/20 0.36
MPL P40238 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
ALK Q9UM73 2/20 0.35
NPC1 O15118 1/20 0.35
FEN1 P39748 1/20 0.35
FDPS P14324 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PIKFYVE Q9Y2I7 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
SCHEMBL15583456 0.86 FEN1 (0.42) SIRT2CDK4CCND1JAK2AXL
SCHEMBL26048382 0.83 ALK (0.36) SIRT2HTR7HTR6CDK4CCND1
SCHEMBL23060787 0.82 KDM4E (0.40) SIRT2
SCHEMBL12574299 0.81 PIM1 (0.40) HTR7AXLNPC1
SCHEMBL21474736 0.80 KDM4E (0.35)
SCHEMBL454277 0.79 HTR2A (0.43)
SCHEMBL26041420 0.78 MPL (0.41) SIRT2HTR7HTR6CDK4CCND1
SCHEMBL22474355 0.77 BAZ2B (0.40) CDK4CCND1AXL
SCHEMBL26041526 0.77 MPL (0.40) SIRT2HTR7HTR6CDK4CCND1
SCHEMBL26048391 0.77 HTR2B (0.32) SIRT2ALK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 EP disclosed
EP-2930762-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, AND DISPLAY DEVICE KONICA MINOLTA INC (JP) 2020-09-16 EP disclosed
WO-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 WO disclosed