SCHEMBL1707345

SCHEMBL1707345

O=C(C=Cc1cnc(N[C@@H]2CCN(CCc3ccc(Br)cc3)C2)cn1)NO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.43
HDAC6 Q9UBN7 14/20 0.43
HDAC8 Q9BY41 13/20 0.43
HDAC3 O15379 11/20 0.41
HDAC4 P56524 11/20 0.41
HDAC7 Q8WUI4 11/20 0.41
HDAC2 Q92769 11/20 0.41
HDAC10 Q969S8 11/20 0.41
HDAC11 Q96DB2 11/20 0.41
HDAC9 Q9UKV0 11/20 0.41
HDAC5 Q9UQL6 11/20 0.41
EHMT1 Q9H9B1 1/20 0.36
THRB P10828 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35

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
SCHEMBL1707340 1.00 HDAC1 (0.43) HDAC1HDAC6HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707660 0.99 HDAC1 (0.42) HDAC1HDAC6HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707658 0.99 HDAC1 (0.42) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1707854 0.92 HDAC1 (0.45) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1707856 0.92 HDAC1 (0.45) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1706860 0.92 SIGMAR1 (0.38) HDAC1HDAC6HDAC8THRBXIAP
SCHEMBL1706862 0.92 SIGMAR1 (0.38) HDAC1HDAC6HDAC8THRBXIAP
SCHEMBL5169589 0.92 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL4217268 0.92 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL4217255 0.92 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC4

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