SCHEMBL11633151

SCHEMBL11633151

N#Cc1ccc2sc3ncccc3c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
STS P08842 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 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
SCHEMBL28462335 0.80 STS (0.49) G6PDSTSCA1CA2
SCHEMBL11814075 0.75 TTR (0.43) GSK3AGSK3BCDK5CDK5R1STS
SCHEMBL28453419 0.74 STS (0.45) G6PDSTSCA1CA2
SCHEMBL11811217 0.74 ALDH1A1 (0.50)
SCHEMBL11865977 0.70 AKR1B1 (0.48)
SCHEMBL11631827 0.70 KDM4E (0.50) G6PDCA1CA2
SCHEMBL11634353 0.69 KDM4E (0.61) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL11635606 0.69 KDM4E (0.33)
SCHEMBL3160662 0.69 STS (0.46) G6PDSTSCA1CA2
SCHEMBL16906027 0.69 GPR3 (0.54) G6PDSTSCA1CA2

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-4085111-A ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-04-18 US disclosed