SCHEMBL7576115

SCHEMBL7576115

O=C(O)C(Nc1c(F)cccc1F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.41
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL5007635 0.89 GAA (0.43) KMT2AALDH1A1GAARPS6KB1AURKA
SCHEMBL859803 0.87 FPR2 (0.46) KMT2AALDH1A1FPR2LMNA
SCHEMBL2484664 0.82 GAA (0.50) KMT2AALDH1A1GAACYP2D6LMNA
SCHEMBL13241014 0.82 GAA (0.50) KMT2AALDH1A1GAACYP2D6LMNA
SCHEMBL16664407 0.82 GAA (0.50) KMT2AALDH1A1GAACYP2D6LMNA
SCHEMBL7578154 0.81 GAA (0.43) KMT2AALDH1A1GAARPS6KB1AURKA
Hydrochloric Acid SCHEMBL2486567 0.81 GAA (0.49) KMT2AALDH1A1GAALMNA
SCHEMBL7578049 0.80 GAA (0.42) KMT2AALDH1A1GAARPS6KB1AURKA
SCHEMBL7574042 0.80 ANPEP (0.41) KMT2AGAARPS6KB1AURKACYP2D6
SCHEMBL7574039 0.80 FPR2 (0.47) ALDH1A1RPS6KB1AURKACYP2D6SRC

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed