SCHEMBL3398874

SCHEMBL3398874

CCN(CC)CCNC(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.56
PPARA Q07869 1/20 0.56
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
CHRM4 P08173 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL3405112 0.94 PPARD (0.54) PPARDPPARAHPGDNPC1KMT2A
SCHEMBL3403588 0.87 PPARA (0.55) PPARDPPARAHPGDNPC1KMT2A
SCHEMBL3402505 0.83 KMT2A (0.50) HPGDNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3401487 0.82 HTR2C (0.55) PPARDPPARAHPGDNPC1SMN1; SMN2
SCHEMBL3396985 0.82 PPARD (0.46) PPARDPPARAHPGDNPC1SMN1; SMN2
SCHEMBL3403957 0.81 PANK3 (0.46) HPGDNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3405687 0.80 PPARD (0.54) PPARDPPARAHPGDNPC1TP53
SCHEMBL3400860 0.79 PPARD (0.54) PPARDPPARAHPGDNPC1TP53
SCHEMBL3404913 0.78 PPARD (0.53) PPARDPPARAKMT2AMEN1SMN1; SMN2
SCHEMBL3404056 0.77 PPARD (0.52) PPARDPPARAKMT2AMEN1SMN1; SMN2

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