SCHEMBL1707679

SCHEMBL1707679

O=C(C=Cc1cnc(N[C@@H]2CCN(CCc3cccc(F)c3)C2)cn1)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HTR2A P28223 1/20 0.41
CCR3 P51677 2/20 0.41
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 4/20 0.39
ATM Q13315 1/20 0.39
CACNA1G O43497 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MC4R P32245 1/20 0.38
TMEM97 Q5BJF2 1/20 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
SCHEMBL1707677 1.00 HDAC1 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707198 0.99 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707307 0.99 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707202 0.99 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707095 0.95 SLC6A3 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707102 0.95 SLC6A3 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1706805 0.94 SLC6A3 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1706803 0.94 SLC6A3 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707440 0.94 SLC6A3 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL4222392 0.92 CCR3 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4

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