SCHEMBL7796483

SCHEMBL7796483

C/C=C1\CN(C(=O)c2cccs2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
GAA P10253 2/20 0.43
HDAC1 Q13547 1/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7796728 0.82 HDAC1 (0.53) HDAC6HDAC1
SCHEMBL7796321 0.81 HDAC6 (0.50) HDAC6HDAC1SMN1; SMN2
SCHEMBL7796324 0.81 HDAC6 (0.63) HDAC6HDAC1TSHR
SCHEMBL7796971 0.81 ALDH1A1 (0.43) HDAC6HDAC1LMNAMAPT
SCHEMBL7795811 0.80 POLB (0.40) HDAC6HDAC1PRMT5WDR77LMNA
SCHEMBL7796473 0.80 L3MBTL1 (0.42) HDAC6HDAC1SMN1; SMN2
SCHEMBL7787409 0.79 HDAC6 (0.47) HDAC6HDAC1PRMT5WDR77
SCHEMBL7797062 0.78 HDAC1 (0.53) HDAC6HDAC1MAPT
SCHEMBL7787411 0.78 HRH4 (0.48) GAASMN1; SMN2MAPT
SCHEMBL7796577 0.77 HDAC1 (0.49) HDAC6GAAHDAC1SMN1; SMN2LMNA

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