SCHEMBL7583544

SCHEMBL7583544

Cc1cc(NC(C(=O)O)c2ccccc2)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
RAB9A P51151 9/20 0.49
NPC1 O15118 6/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
FPR2 P25090 1/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL7576573 0.88 RAB9A (0.49) LMNARAB9ANPC1POLBFPR2
SCHEMBL7583934 0.86 ALDH1A1 (0.49) LMNARAB9ANPC1POLBCYP1A2
SCHEMBL23148268 0.81 FPR2 (0.43) LMNARAB9ANPC1POLBFPR2
SCHEMBL23148267 0.81 FPR2 (0.43) LMNARAB9ANPC1POLBFPR2
SCHEMBL13240816 0.79 RAB9A (0.50) LMNARAB9ANPC1FPR2MAPT
SCHEMBL2482554 0.79 RAB9A (0.50) LMNARAB9ANPC1FPR2MAPT
Hydrochloric Acid SCHEMBL2485885 0.78 RAB9A (0.49) LMNARAB9ANPC1FPR2MAPT
SCHEMBL2482091 0.78 SMN1; SMN2 (0.53) LMNARAB9ANPC1FPR2MAPT
SCHEMBL7583413 0.78 FPR2 (0.67) LMNARAB9ANPC1FPR2MAPT
SCHEMBL7576266 0.77 CA1 (0.51) LMNAPOLBFPR2KMT2AMEN1

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