Sugi Predict

Sugi Predict / Compounds / SCHEMBL7960313

SCHEMBL7960313

SCHEMBL7960313

O=C(O)C1CCCCN1C(=O)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ CA2 P00918 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RECQL P46063 1/20 0.48

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
SCHEMBL3143281 0.95 CA2 (0.62) TDP1L3MBTL1CA2ALDH1A1KDM4E
SCHEMBL4893199 0.95 CA2 (0.62) TDP1L3MBTL1CA2ALDH1A1KDM4E
SCHEMBL13804351 0.87 GAA (0.53) TDP1L3MBTL1KDM4EGAAHPGD
SCHEMBL3575904 0.86 TDP1 (0.66) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL3575901 0.86 TDP1 (0.66) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL6787910 0.84 CA2 (0.75) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL5537767 0.84 CA2 (0.75) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL7592715 0.83 ALDH1A1 (0.61) TDP1L3MBTL1CA2ALDH1A1
SCHEMBL3706608 0.82 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1KDM4E
SCHEMBL3718790 0.82 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1GAA

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 — — US disclosed