SCHEMBL7584774

SCHEMBL7584774

CSc1ccc(NC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
FPR2 P25090 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.41
KIF11 P52732 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2482459 0.83 MEN1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13240820 0.83 MEN1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2483519 0.82 FPR2 (0.49) MAPTFPR2ALDH1A1LMNAKDM4E
SCHEMBL2483521 0.82 FPR2 (0.49) MAPTFPR2ALDH1A1LMNAKDM4E
SCHEMBL146704 0.82 FPR2 (0.49) MAPTFPR2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL2484358 0.82 MEN1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2482091 0.81 SMN1; SMN2 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28534876 0.81 FPR2 (0.47) MAPTKMT2AFPR2ALDH1A1LMNA
SCHEMBL7576927 0.80 CRHBP (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7573687 0.80 MAOA (0.48) MAPTKMT2AFPR2LMNAMAPK1

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