SCHEMBL6863054

SCHEMBL6863054

Fc1cc(I)ccc1Oc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.50
PPARD Q03181 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 4/20 0.44
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
FEN1 P39748 1/20 0.36

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
SCHEMBL328397 0.81 PPARD (0.53) SMN1; SMN2ALDH1A1LMNAPPARDTDP1
SCHEMBL30354782 0.81 ALDH1A1 (0.53) MAP2K1SMN1; SMN2ALDH1A1LMNAPPARD
SCHEMBL5570151 0.81 ALDH1A1 (0.53) MAP2K1SMN1; SMN2ALDH1A1LMNAPPARD
SCHEMBL328394 0.81 LMNA (0.53) MAP2K1SMN1; SMN2ALDH1A1LMNAPPARD
SCHEMBL15596867 0.80 MAP2K1 (0.48) MAP2K1LMNATDP1
SCHEMBL11483460 0.78 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAPPARDTDP1
SCHEMBL432736 0.78 SMN1; SMN2 (0.52) MAP2K1SMN1; SMN2ALDH1A1LMNAPPARD
SCHEMBL27572256 0.78 PPARD (0.50) SMN1; SMN2ALDH1A1LMNAPPARDTDP1
SCHEMBL11990011 0.78 PPARD (0.50) SMN1; SMN2ALDH1A1LMNAPPARDTDP1
SCHEMBL2644891 0.76 LMNA (0.62) SMN1; SMN2ALDH1A1LMNAPPARDTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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