SCHEMBL9686105

SCHEMBL9686105

O=c1[nH]c2ccccc2cc1N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
KDR P35968 6/20 0.47
CHEK1 O14757 1/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL4543934 0.97 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL6582983 0.95 BRD4 (0.49) BRD4DAODDOKDRCHEK1
SCHEMBL3459225 0.87 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL31149055 0.87 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL13801290 0.84 BRD4 (0.45) BRD4DAODDOKDRCHEK1
SCHEMBL14410195 0.82 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL30041257 0.80 HRH4 (0.63) HRH3HRH4
Trifluoroacetic Acid SCHEMBL30355123 0.77 HRH4 (0.48) DAODDOKDRHRH3HRH4
SCHEMBL20547348 0.76 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL9387635 0.76 ALDH1A1 (0.45) HRH4KDM4EMAPTKDM4CALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514268-A1 Substituted amino acid azetidinyl pyridone derivatives, their preparation and use as medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-11-19 EP claimed
EP-0514268-A1 Substituted amino acid azetidinyl pyridone derivatives, their preparation and use as medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-11-19 EP disclosed