SCHEMBL7698661

SCHEMBL7698661

CCCCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC6 Q9UBN7 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
PTPN1 P18031 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL14392781 0.85 KMT2A (0.62) TSHR
SCHEMBL195152 0.83 CA2 (0.55) L3MBTL1
SCHEMBL7408363 0.82 CYP19A1 (0.47) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL893242 0.81 KMT2A (0.60) TSHRPTPN1
SCHEMBL894410 0.80 KMT2A (0.59) TSHRPTPN1
SCHEMBL7399025 0.78 KMT2A (0.43) PTPN1
SCHEMBL10680125 0.77 L3MBTL1 (0.55) PTPN1L3MBTL1
SCHEMBL7970997 0.76 CXCR4 (0.69) HDAC3HDAC2HDAC6GRIN1GRIN2A
SCHEMBL28367131 0.75 ALDH1A1 (0.55) KDM4E
SCHEMBL24990193 0.73 CA2 (0.59) L3MBTL1

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-2002057220-A1 HYDRAZIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed