SCHEMBL3404875

SCHEMBL3404875

CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(OC(F)(F)F)c2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2C P28335 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
PPARD Q03181 1/20 0.42
TRPM8 Q7Z2W7 5/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSA P10619 1/20 0.39

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
SCHEMBL3404127 0.89 HTR2C (0.49) ALDH1A1SMN1; SMN2HTR2CKMT2AMAPT
SCHEMBL3404118 0.88 PPARA (0.57) PPARAALDH1A1HTR2CKMT2AMAPT
SCHEMBL3397100 0.87 HTR2C (0.46) PPARAALDH1A1SMN1; SMN2HTR2CKMT2A
SCHEMBL3399991 0.87 HTR2C (0.45) PPARAALDH1A1SMN1; SMN2HTR2CKMT2A
SCHEMBL3405267 0.85 ALDH1A1 (0.63) PPARAALDH1A1SMN1; SMN2HTR2CKMT2A
SCHEMBL3403618 0.84 TRPM8 (0.48) ALDH1A1SMN1; SMN2HTR2CKMT2AMAPT
SCHEMBL3404830 0.84 ALDH1A1 (0.44) PPARAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL3399741 0.84 TRPM8 (0.50) ALDH1A1SMN1; SMN2HTR2CKMT2AMAPT
SCHEMBL3404304 0.82 KMT2A (0.61) ALDH1A1SMN1; SMN2HTR2CKMT2AMAPT
SCHEMBL3400862 0.82 HTR2C (0.47) ALDH1A1SMN1; SMN2HTR2CKMT2AMAPT

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 3 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