SCHEMBL3942903

SCHEMBL3942903

O=C(O)c1cc2ccccc2n1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.50
L3MBTL1 Q9Y468 9/20 0.50
ACACB O00763 2/20 0.50
ACACA Q13085 2/20 0.50
TP53BP1 Q12888 3/20 0.48
SIGMAR1 Q99720 3/20 0.46
MBTD1 Q05BQ5 6/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44

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
SCHEMBL9816566 0.70 ALDH1A1 (0.54) L3MBTL1
SCHEMBL3638561 0.70 DAO (0.65)
SCHEMBL29780995 0.70 DAO (0.65)
SCHEMBL6806463 0.69 L3MBTL3 (0.61) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL6183709 0.69 ACACB (0.84) L3MBTL3L3MBTL1ACACBACACATP53BP1
SCHEMBL427533 0.68 MGLL (0.62)
SCHEMBL30995232 0.68 ALDH1A1 (0.55) L3MBTL1MEN1KMT2A
SCHEMBL27669216 0.68 L3MBTL3 (0.94) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL30194405 0.68 DAO (0.57)
SCHEMBL10293557 0.68 L3MBTL3 (1.00) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1

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-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed