SCHEMBL4592689

SCHEMBL4592689

NC(=O)C1CCN(c2ccccc2I)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.49
TDP2 O95551 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.49
GALK1 P51570 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL5798551 0.85 NOTUM (0.58) SMN1; SMN2POLBL3MBTL1NPC1RAB9A
SCHEMBL8124395 0.83 GAA (0.69) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL2077582 0.82 GAA (0.60) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL3436317 0.81 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL1704630 0.79 NOTUM (0.72) NOTUM
SCHEMBL2554368 0.79 GAA (0.53) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL16814953 0.78 GAA (0.52) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL14330895 0.78 GAA (0.52) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30332131 0.78 GAA (0.67) GAAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30332339 0.78 GAA (0.52) GAAALDH1A1SMN1; SMN2NPSR1POLB

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-1931337-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed