SCHEMBL7797509

SCHEMBL7797509

O=C(NO)c1cc2c(s1)CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.46
▸ KDM1A O60341 4/20 0.35
▸ HRH4 Q9H3N8 4/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL12883241 0.75 HDAC6 (0.53) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL1174045 0.70 HDAC6 (0.78) HDAC6KDM1AHDAC1HDAC8
SCHEMBL1174178 0.69 HDAC6 (0.62) HDAC6HRH4HDAC3HDAC4HDAC1
SCHEMBL12883329 0.68 HDAC6 (0.47) HDAC6HDAC10HDAC8
SCHEMBL1174506 0.67 HDAC6 (0.61) HDAC6KDM1A
SCHEMBL13562274 0.67 HRH4 (0.62) HRH4
SCHEMBL7799817 0.66 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL1173979 0.66 HDAC6 (0.66) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL1173867 0.66 HDAC6 (0.66) HDAC6KDM1AHDAC3HDAC1HDAC8
SCHEMBL11609333 0.66 HRH4 (0.56) HRH4

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
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