SCHEMBL1707682

SCHEMBL1707682

O=C(/C=C/c1cnc(N[C@@H]2CCCN(CCCc3ccccc3)C2)cn1)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.49
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
SIGMAR1 Q99720 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL1707685 1.00 KAT2B (0.49) KAT2BKDM4EKMT2AHDAC1HDAC8
Hydrochloric Acid SCHEMBL1707465 0.99 KAT2B (0.49) KAT2BKDM4EKMT2AHDAC1HDAC8
Hydrochloric Acid SCHEMBL1707463 0.99 KAT2B (0.49) KAT2BKDM4EKMT2AHDAC1HDAC8
Hydrochloric Acid SCHEMBL5192487 0.95 HDAC1 (0.48) KAT2BHDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL4223260 0.95 HDAC1 (0.48) KAT2BHDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL4223253 0.95 HDAC1 (0.48) KAT2BHDAC1HDAC8HDAC6HDAC3
SCHEMBL1708336 0.92 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL1708335 0.92 KAT2B (0.51) KAT2BKDM4EKMT2ASIGMAR1CHRNB2
SCHEMBL4217268 0.90 HDAC1 (0.53) HDAC1HDAC8HDAC6SIGMAR1HDAC3
SCHEMBL5169589 0.90 HDAC1 (0.53) HDAC1HDAC8HDAC6SIGMAR1HDAC3

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