SCHEMBL1708478

SCHEMBL1708478

COC(=O)C=Cc1cnc(N[C@@H]2CCCN(CCCc3ccccc3)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.51
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRNB4 P30926 7/20 0.43
CHRNA3 P32297 7/20 0.43
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
SIGMAR1 Q99720 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
SCHEMBL1706792 1.00 KAT2B (0.51) KAT2BKDM4EKMT2ACHRNB4CHRNA3
SCHEMBL1708336 0.91 KAT2B (0.51) KAT2BKDM4EKMT2ACHRNB4CHRNA3
SCHEMBL1708335 0.91 KAT2B (0.51) KAT2BKDM4EKMT2ACHRNB4CHRNA3
SCHEMBL1707682 0.89 KAT2B (0.49) KAT2BKDM4EKMT2ACHRNB4CHRNA3
SCHEMBL1707685 0.89 KAT2B (0.49) KAT2BKDM4EKMT2ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1707463 0.88 KAT2B (0.49) KAT2BKDM4EKMT2ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1707465 0.88 KAT2B (0.49) KAT2BKDM4EKMT2ACHRNB4CHRNA3
SCHEMBL1707692 0.87 KAT2B (0.40) KAT2BKMT2A
SCHEMBL4229392 0.87 KAT2B (0.45) KAT2BKDM4EKMT2ASIGMAR1
SCHEMBL4229385 0.87 KAT2B (0.45) KAT2BKDM4EKMT2ASIGMAR1

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
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed