SCHEMBL3979125

SCHEMBL3979125

CCc1ccc(N(CC(F)(F)F)C(N)=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PLAU P00749 1/20 0.40
MAOA P21397 1/20 0.36
IDO1 P14902 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RORC P51449 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NR1I2 O75469 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
AR P10275 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL3969250 0.80 ADRA2A (0.44) ALDH1A1
SCHEMBL3972855 0.77 SMN1; SMN2 (0.47) SMN1; SMN2PLAUMAOAIDO1KMT2A
SCHEMBL8611486 0.70 ALDH1A1 (0.43) SMN1; SMN2PLAUKMT2AKDM4EALDH1A1
SCHEMBL8611160 0.66 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL3893897 0.64 ENPP2 (0.44) SMN1; SMN2ALDH1A1HPGD
SCHEMBL14093102 0.64 MLYCD (0.45) SMN1; SMN2ALDH1A1
SCHEMBL3896543 0.63 LPL (0.52) SMN1; SMN2PLAUALDH1A1HPGDTAAR1
SCHEMBL12304289 0.63 LPL (0.52) SMN1; SMN2PLAUALDH1A1HPGDTAAR1
SCHEMBL4828364 0.63 SMN1; SMN2 (1.00) SMN1; SMN2PLAUMAOAIDO1KMT2A
SCHEMBL20269203 0.63 SMN1; SMN2 (0.61) SMN1; SMN2PLAUMAOAIDO1KMT2A

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