SCHEMBL14979367

SCHEMBL14979367

CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccnc(-n4c5ccccc5c5ccc6ccccc6c54)n3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MCL1 Q07820 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL14979329 0.93 DKK1 (0.34) DKK1HCRTR1HCRTR2MCL1TUBB4A
SCHEMBL14979374 0.89 DKK1 (0.32) DKK1HCRTR1HCRTR2MCL1TUBB4A
SCHEMBL14979404 0.87 DKK1 (0.38) DKK1HCRTR1HCRTR2MCL1TUBB4A
SCHEMBL14979351 0.87 DKK1 (0.38) DKK1HCRTR1HCRTR2MCL1TUBB4A
SCHEMBL14979355 0.86 PIK3CA (0.37) DKK1HCRTR1HCRTR2MCL1TUBB4A
SCHEMBL14979353 0.85 PIK3CA (0.37) DKK1HCRTR1HCRTR2MCL1PIK3CA
SCHEMBL14979431 0.85 HCRTR1 (0.38) DKK1HCRTR1HCRTR2MCL1PIK3CA
SCHEMBL14979311 0.85 HCRTR1 (0.40) DKK1HCRTR1HCRTR2MCL1
SCHEMBL14979400 0.85 HCRTR1 (0.40) DKK1HCRTR1HCRTR2MCL1
SCHEMBL15626484 0.84 KDM4E (0.35) DKK1

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
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed