SCHEMBL3969996

SCHEMBL3969996

NC(=S)N(CCO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CDK1 P06493 1/20 0.40
KIF11 P52732 2/20 0.39
IDO1 P14902 3/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A5 Q14940 1/20 0.34
RORC P51449 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3974584 0.80 MAPT (0.41) MLYCDALDH1A1LMNANOS3NOS1
SCHEMBL4096326 0.77 POLB (0.36) MLYCDPLAUIDO1ALDH1A1LMNA
SCHEMBL3973752 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ATP53CYP3A4ALOX15
SCHEMBL4085301 0.77 TRPV4 (0.38) MLYCD
SCHEMBL4078040 0.77 KMT2A (0.42) MLYCDHTR3EHTR3BPLAUHTR3A
SCHEMBL11816669 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL3972855 0.75 SMN1; SMN2 (0.47) MLYCDPLAUIDO1ALDH1A1TAAR1
SCHEMBL3971781 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPK1
SCHEMBL4087920 0.73 MEN1 (0.39) MLYCDIDO1MEN1KMT2ANOS3
SCHEMBL3968468 0.73 MAPK1 (0.40) ALDH1A1LMNAMEN1KMT2ATP53

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