SCHEMBL16168901

SCHEMBL16168901

c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)cc4ccc5cc(-c6ccc7c(c6)[nH]c6ccccc67)cc2c5c34)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ CDK4 P11802 3/20 0.38
▸ CCND1 P24385 3/20 0.38
▸ AHR P35869 1/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ KIF11 P52732 11/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL20291012 0.81 AHR (0.55) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL20306691 0.75 CDK4 (0.52) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL16310851 0.73 AHR (0.63) HTR2BHTR5AAHRKIF11ALDH1A1
SCHEMBL19432953 0.73 CDK4 (0.54) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL16310858 0.73 CDK4 (0.61) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL18028382 0.72 AHR (0.55) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL16656490 0.72 CDK4 (0.57) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL19432955 0.72 CDK4 (0.53) HTR2BHTR5ACDK4CCND1AHR
SCHEMBL19442036 0.72 AHR (0.70) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL29742954 0.72 AHR (0.70) CDK4CCND1AHRKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
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