SCHEMBL11145174

SCHEMBL11145174

c1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.54
BCHE P06276 1/20 0.52
GSK3B P49841 2/20 0.44
ADK P55263 1/20 0.44
MAOA P21397 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
TDO2 P48775 1/20 0.43
CDK4 P11802 6/20 0.43
CCND1 P24385 6/20 0.43
CCNB2 O95067 2/20 0.42
CCNE2 O96020 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
PARP14 Q460N5 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41

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
SCHEMBL3269364 0.92 KIF11 (0.49) KIF11BCHEGSK3BADKMAOA
SCHEMBL20293634 0.89 PARP14 (0.48) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL30022347 0.88 ESR1 (0.46) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL3270153 0.88 MAOA (0.46) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL30103587 0.88 MAOA (0.48) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL3270151 0.88 MAOA (0.48) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL29177864 0.87 KIF11 (0.44) KIF11BCHEGSK3BADKMAOA
SCHEMBL30022292 0.86 MAOA (0.47) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL31276021 0.86 MAOA (0.47) KIF11BCHEMAOAHTR2BHTR5A
SCHEMBL11145173 0.85 KIF11 (0.54) KIF11BCHEHTR2BHTR5ATDO2

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-4398946-A Method of homogenizing cast iron melts and compacts for the carrying out thereof WERNER KESSL GIESSEREIBEDARF GMBH (DE) 1983-08-16 US claimed
EP-0046991-A1 Process and briquette for homogenizing molten cast iron Werner Kessl Giessereibedarf GmbH (DE) 1982-03-10 EP claimed
EP-0046991-A1 Process and briquette for homogenizing molten cast iron Werner Kessl Giessereibedarf GmbH (DE) 1982-03-10 EP disclosed