SCHEMBL3974959

SCHEMBL3974959

CCCCc1ccc(N(CCO)C(N)=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNNC1 P63316 2/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL3972855 0.84 SMN1; SMN2 (0.47) ALDH1A1HPGDGRIN2DGRIN3BGRIN1
SCHEMBL8611160 0.80 ALDH1A1 (0.38) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3971781 0.78 ALDH1A1 (0.46) THRBALDH1A1HPGD
SCHEMBL30081514 0.77 CA1 (0.47) LMNACA2CA1THRATHRB
SCHEMBL3973752 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10GRIN2DGRIN3B
SCHEMBL27553712 0.75 MAPT (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28820658 0.74 NPC1 (0.39) ALDH1A1
SCHEMBL3973730 0.74 ADRA2A (0.46) ALDH1A1SMN1; SMN2
SCHEMBL11816669 0.73 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2
SCHEMBL27472289 0.73 ALDH1A1 (0.50) CA2CA1THRATHRBALDH1A1

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-2016061-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2009-01-21 EP disclosed
WO-2007122241-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed