SCHEMBL3972855

SCHEMBL3972855

CCc1ccc(N(CCO)C(N)=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
PLAU P00749 1/20 0.42
MAOA P21397 1/20 0.37
IDO1 P14902 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
PAX8 Q06710 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
SLC9A5 Q14940 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL3974959 0.84 LMNA (0.43) SMN1; SMN2ALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL3971781 0.83 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL3973752 0.82 ALDH1A1 (0.46) SMN1; SMN2MAOAKMT2AALDH1A1HPGD
SCHEMBL3973730 0.79 ADRA2A (0.46) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4096326 0.79 POLB (0.36) SMN1; SMN2PLAUIDO1ALDH1A1KDM4E
SCHEMBL11816669 0.78 ALDH1A1 (0.52) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL3979125 0.77 SMN1; SMN2 (0.44) SMN1; SMN2PLAUMAOAIDO1KMT2A
SCHEMBL8611160 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EPAX8HDAC1
SCHEMBL4087920 0.75 MEN1 (0.39) IDO1KMT2AMEN1MLYCD
SCHEMBL3969996 0.75 MLYCD (0.43) PLAUIDO1KMT2AALDH1A1MEN1

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