SCHEMBL11435682

SCHEMBL11435682

Nc1cccc(C(=O)Nc2ccc(O)c3cccc(S(=O)(=O)O)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC1 Q13547 1/20 0.51
KMT2A Q03164 5/20 0.49
TIMP3 P35625 4/20 0.49
RECQL P46063 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 2/20 0.49
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 3/20 0.43
P2RX1 P51575 3/20 0.43
P2RX3 P56373 3/20 0.43
HPSE Q9Y251 2/20 0.43
ENPP3 O14638 1/20 0.43
ENTPD3 O75355 1/20 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
SCHEMBL11440694 0.95 HDAC1 (0.51) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11440774 0.92 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL17903023 0.91 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11758262 0.89 HSD17B10 (0.58) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11436491 0.88 HDAC1 (0.46) HSD17B10SMN1; SMN2HDAC1KMT2ATIMP3
SCHEMBL11430982 0.87 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11427858 0.86 HDAC1 (0.51) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11209218 0.86 AURKB (0.53) HSD17B10SMN1; SMN2NPSR1HDAC1KMT2A
SCHEMBL11341158 0.85 RECQL (0.68) HSD17B10SMN1; SMN2KMT2ATIMP3RECQL
SCHEMBL10907758 0.85 RECQL (0.59) HSD17B10SMN1; SMN2KMT2ATIMP3RECQL

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
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed