SCHEMBL7576573

SCHEMBL7576573

Cc1ccc(NC(C(=O)O)c2ccccc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACP1 P24666 1/20 0.42
PTPN12 Q05209 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL7583544 0.88 LMNA (0.51) RAB9ANPC1POLBFPR2ALDH1A1
SCHEMBL7583934 0.86 ALDH1A1 (0.49) RAB9ANPC1POLBFPR2ALDH1A1
SCHEMBL2482554 0.82 RAB9A (0.50) RAB9ANPC1FPR2KDM4EGAA
SCHEMBL13240816 0.82 RAB9A (0.50) RAB9ANPC1FPR2KDM4EGAA
Hydrochloric Acid SCHEMBL2485885 0.81 RAB9A (0.49) RAB9ANPC1FPR2KDM4EGAA
SCHEMBL28085797 0.79 FPR2 (0.44) NPC1FPR2ALDH1A1KDM4EGAA
SCHEMBL2715461 0.79 FPR2 (0.44) NPC1FPR2ALDH1A1KDM4EGAA
SCHEMBL23148267 0.78 FPR2 (0.43) RAB9ANPC1POLBFPR2ALDH1A1
SCHEMBL7576014 0.78 SMN1; SMN2 (0.60) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL23148268 0.78 FPR2 (0.43) RAB9ANPC1POLBFPR2ALDH1A1

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