SCHEMBL4580543

SCHEMBL4580543

c1ccc(N(c2ccc(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
CDK4 P11802 7/20 0.43
CCND1 P24385 7/20 0.43
KIF11 P52732 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
BCHE P06276 1/20 0.40
PARP14 Q460N5 8/20 0.38

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
SCHEMBL19485308 0.90 HTR2B (0.45) HTR2BHTR5ACDK4CCND1KIF11
SCHEMBL18310312 0.89 KIF11 (0.45) HTR2BHTR5ACDK4CCND1KIF11
SCHEMBL4578609 0.89 KIF11 (0.45) HTR2BHTR5ACDK4CCND1KIF11
SCHEMBL4579999 0.89 KIF11 (0.45) HTR2BHTR5ACDK4CCND1KIF11
SCHEMBL16382430 0.87 CDK4 (0.47) HTR2BHTR5ACDK4CCND1KIF11
SCHEMBL984431 0.87 KIF11 (0.47) CDK4CCND1KIF11BCHEPARP14
SCHEMBL29425587 0.87 KIF11 (0.47) CDK4CCND1KIF11BCHEPARP14
SCHEMBL4579947 0.85 PARP14 (0.45) HTR2BHTR5AKIF11BCHEPARP14
SCHEMBL4581416 0.85 PARP14 (0.45) HTR2BHTR5AKIF11BCHEPARP14
SCHEMBL4581380 0.84 KIF11 (0.44) HTR2BHTR5ACDK4CCND1KIF11

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-7396599-B2 Binuclear organometallic complexes and organic electroluminescent display device using the same SAMSUNG SDI CO., LTD. (KR) 2008-07-08 US disclosed