SCHEMBL6863681

SCHEMBL6863681

Fc1cccc(-c2ccc(I)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
IDO1 P14902 2/20 0.49
CYP11B1 P15538 1/20 0.48
MAP4K4 O95819 4/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PIM1 P11309 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 2/20 0.43
FYN P06241 3/20 0.43
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 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
SCHEMBL7392070 0.80 HPGDS (0.58) HPGDSIDO1CYP11B1MAP4K4HSD17B1
SCHEMBL15747739 0.79 HPGDS (0.56) HPGDSIDO1CYP11B1MAP4K4HSD17B1
SCHEMBL17860701 0.79 KDM1A (0.54) IDO1MAP4K4HSD17B1HSD17B2KMO
SCHEMBL2318238 0.79 HPGDS (0.60) HPGDSIDO1CYP11B1MAP4K4HSD17B1
SCHEMBL328396 0.79 HPGDS (0.56) HPGDSIDO1CYP11B1MAP4K4HSD17B1
SCHEMBL19992829 0.78 KDM1A (0.57) IDO1PIM1KDM4EKMO
SCHEMBL20862075 0.77 NPC1 (0.53) IDO1CYP11B1PIM1MEN1KMT2A
SCHEMBL15097694 0.77 LDHA (0.52) HPGDSCYP11B1MEN1KMT2A
SCHEMBL12203428 0.76 HPGDS (0.54) HPGDSIDO1CYP11B1MAP4K4HSD17B1
SCHEMBL15747846 0.76 HPGDS (0.57) HPGDSIDO1CYP11B1MAP4K4HSD17B1

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
WO-2014028334-A1 SELECTIVE MMP INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2014-02-20 WO disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed