SCHEMBL798388

SCHEMBL798388

Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 4/20 0.63
GAA P10253 2/20 0.62
ALDH1A1 P00352 6/20 0.58
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
OXTR P30559 1/20 0.49
POLB P06746 2/20 0.49
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46

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
SCHEMBL806780 0.83 SMN1; SMN2 (1.00) SMN1; SMN2HPGDATML3MBTL1LMNA
SCHEMBL10053396 0.77 SMN1; SMN2 (0.86) SMN1; SMN2HPGDATML3MBTL1LMNA
SCHEMBL806438 0.75 SMN1; SMN2 (0.83) SMN1; SMN2HPGDATML3MBTL1LMNA
SCHEMBL4259973 0.73 PKM (0.67) SMN1; SMN2HPGDATML3MBTL1LMNA
SCHEMBL806760 0.70 SMN1; SMN2 (0.75) SMN1; SMN2HPGDATML3MBTL1LMNA
SCHEMBL5100118 0.69 MAPT (0.60) SMN1; SMN2HPGDL3MBTL1LMNAGAA
SCHEMBL2760607 0.69 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1LMNAGAAALDH1A1
SCHEMBL25984793 0.68 HSD11B1 (0.81) SMN1; SMN2HPGDLMNAGAAALDH1A1
SCHEMBL6206191 0.68 ALDH1A1 (0.69) SMN1; SMN2L3MBTL1LMNAGAAALDH1A1
SCHEMBL798762 0.68 MAPT (0.67) SMN1; SMN2HPGDATML3MBTL1LMNA

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-2616073-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS Microbiotix, Inc. (US) 2013-07-24 EP disclosed
WO-2012037119-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. (US) 2012-03-22 WO disclosed