SCHEMBL4581380

SCHEMBL4581380

c1ccc(N(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
BCHE P06276 1/20 0.44
CDK4 P11802 6/20 0.41
CCND1 P24385 6/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PARP14 Q460N5 10/20 0.38
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37

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
Biphenyl SCHEMBL28801015 0.91 BCHE (0.44) KIF11BCHECDK4CCND1CCNB2
SCHEMBL19485307 0.90 KIF11 (0.40) KIF11BCHECDK4CCND1CCNB2
SCHEMBL30435195 0.90 CDK4 (0.42) KIF11CDK4CCND1CCNB2CCNE2
SCHEMBL19601492 0.88 CDK4 (0.43) KIF11CDK4CCND1CCNB2CCNE2
SCHEMBL4579999 0.88 KIF11 (0.45) KIF11BCHECDK4CCND1PARP14
SCHEMBL4578609 0.88 KIF11 (0.45) KIF11BCHECDK4CCND1PARP14
SCHEMBL18310312 0.88 KIF11 (0.45) KIF11BCHECDK4CCND1PARP14
SCHEMBL30302793 0.85 BCHE (0.41) KIF11BCHECDK4CCND1CCNB2
SCHEMBL11896340 0.85 BCHE (0.35) KIF11BCHECDK4CCND1CCNB2
SCHEMBL16382430 0.85 CDK4 (0.47) KIF11BCHECDK4CCND1CCNB2

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