SCHEMBL5772548

SCHEMBL5772548

Nc1nc(C(=O)O)c(-c2ccccc2Oc2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FEN1 P39748 3/20 0.42
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PKM P14618 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SCN9A Q15858 1/20 0.37
COPS5 Q92905 2/20 0.36
MAPT P10636 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FBP1 P09467 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3855948 0.87 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1969038 0.79 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1716047 0.77 PTGER1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL496233 0.76 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1520721 0.73 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL496186 0.71 PIN1 (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL496182 0.71 ALDH1A1 (0.69) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL28805630 0.69 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL2424045 0.67 KMT2A (0.48) KDM4EALDH1A1MAPTRAB9A
SCHEMBL11972335 0.67 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709041-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-10-11 EP disclosed
WO-2005073226-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-08-11 WO disclosed