SCHEMBL7801139

SCHEMBL7801139

CC1=NC(CC(=O)N2CCc3cc(C(=O)NO)sc3C2)CS1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.54
▸ KDM1A O60341 5/20 0.41
▸ WDR91 A4D1P6 1/20 0.37
▸ PRMT5 O14744 4/20 0.35
▸ WDR77 Q9BQA1 4/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL7795155 0.83 HDAC6 (0.53) HDAC6KDM1AWDR91PRMT5WDR77
SCHEMBL7798197 0.77 HDAC6 (0.53) HDAC6KDM1AWDR91ALDH1A1POLB
SCHEMBL1174044 0.76 HDAC6 (0.56) HDAC6KDM1AALDH1A1POLBPKM
SCHEMBL1174010 0.74 HDAC6 (0.55) HDAC6KDM1APRMT5WDR77ALDH1A1
SCHEMBL12869052 0.74 HDAC6 (0.60) HDAC6KDM1APRMT5WDR77ALDH1A1
SCHEMBL1174426 0.73 HDAC6 (0.56) HDAC6KDM1AWDR91PRMT5WDR77
SCHEMBL1174330 0.73 HDAC6 (0.55) HDAC6KDM1APRMT5WDR77ALDH1A1
SCHEMBL1173819 0.72 HDAC6 (0.54) HDAC6KDM1AWDR91PRMT5WDR77
SCHEMBL1174246 0.71 HDAC6 (1.00) HDAC6KDM1AWDR91HDAC8ALDH1A1
SCHEMBL7797376 0.71 HDAC6 (0.55) HDAC6KDM1AWDR91PRMT5WDR77

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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