SCHEMBL4581416

SCHEMBL4581416

Cc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 12/20 0.45
KIF11 P52732 3/20 0.43
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
TDO2 P48775 1/20 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
SCHEMBL4579947 1.00 PARP14 (0.45) PARP14KIF11USP2ALDH1A1HPGD
SCHEMBL4578609 0.89 KIF11 (0.45) PARP14KIF11BCHEHTR2BHTR5A
SCHEMBL18310312 0.89 KIF11 (0.45) PARP14KIF11BCHEHTR2BHTR5A
SCHEMBL4579999 0.89 KIF11 (0.45) PARP14KIF11BCHEHTR2BHTR5A
SCHEMBL11895880 0.87 PARP14 (0.40) PARP14KIF11USP2ALDH1A1HPGD
SCHEMBL16382430 0.87 CDK4 (0.47) PARP14KIF11HPGDBCHEHTR2B
SCHEMBL984431 0.87 KIF11 (0.47) PARP14KIF11ALDH1A1BCHEHSD17B10
SCHEMBL29425587 0.87 KIF11 (0.47) PARP14KIF11ALDH1A1BCHEHSD17B10
SCHEMBL4580543 0.85 HTR2B (0.47) PARP14KIF11BCHEHTR2BHTR5A
SCHEMBL262937 0.85 KIF11 (0.45) KIF11USP2ALDH1A1HPGDALOX15

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