SCHEMBL6530008

SCHEMBL6530008

O=C(NO)c1sccc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ADORA3 P0DMS8 6/20 0.45
KDM4E B2RXH2 3/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 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
SCHEMBL3599161 0.83 KDM4E (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6198432 0.83 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30424151 0.81 BCAT2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1379791 0.81 BCAT2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22896817 0.73 CAPN1 (0.54)
SCHEMBL6752641 0.72 KDM4E (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6019359 0.72 RAB9A (0.54) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL5903774 0.70 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6745096 0.70 KDM4E (0.50) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL10472324 0.69 ALDH1A1 (0.43) ADORA3KDM4EKDM4AKDM4BKDM5B

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
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed