SCHEMBL3396720

SCHEMBL3396720

CCOc1ccc(-c2nc(C)c(C(=O)NCCN(CC)CC)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TARBP2 Q15633 1/20 0.48
▸ PPARA Q07869 7/20 0.48
▸ GAA P10253 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PPARD Q03181 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ CYP3A4 P08684 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
SCHEMBL3403000 0.92 NPC1 (0.50) MAPTNPC1HPGDTP53MEN1
SCHEMBL3400463 0.84 PPARA (0.54) MAPTNPC1HPGDLMNATP53
SCHEMBL3401033 0.82 TARBP2 (0.49) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL3399977 0.81 TSHR (0.53) MAPTNPC1HPGDLMNATP53
SCHEMBL3405206 0.81 GLA (0.60) MAPTNPC1HPGDLMNATP53
SCHEMBL3405796 0.80 ALDH1A1 (0.48) MAPTNPC1HPGDLMNATP53
SCHEMBL23957007 0.78 HPGD (0.51) MAPTNPC1HPGDLMNATP53
SCHEMBL25828324 0.77 XDH (0.54) MAPTNPC1HPGDLMNAMEN1
SCHEMBL23957002 0.77 NPC1 (0.45) MAPTNPC1HPGDTP53MEN1
SCHEMBL28297246 0.77 CDC7 (0.71) MAPTLMNAMEN1KMT2ATARBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 — — WO disclosed
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