SCHEMBL5720192

SCHEMBL5720192

CCC(C)(C)c1ccc(S(=O)(=O)NOc2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CFTR P13569 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
CYP19A1 P11511 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL11706565 0.75 MAPT (0.72) L3MBTL1MAPTLMNAATMFFAR1
SCHEMBL5720198 0.73 L3MBTL1 (0.49) L3MBTL1MAPTLMNAATMCA1
SCHEMBL8432586 0.73 L3MBTL1 (0.49) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8740742 0.70 MAPT (0.54) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL9118710 0.69 MAPT (0.53) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8077096 0.69 CFTR (0.57) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8077059 0.68 ALDH1A1 (0.51) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10180000 0.68 ALDH1A1 (0.46) MAPTLMNAATMRAB9AMAPK1
SCHEMBL17409183 0.67 PTPN11 (0.41) LMNAATMCA1CA2RAB9A
SCHEMBL23343636 0.67 CA12 (0.60) L3MBTL1MAPTLMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed