SCHEMBL4786129

SCHEMBL4786129

O=C1CSCN1c1ccc(N2CSCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.33
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL8089820 0.90 MAPT (0.47) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL8089825 0.90 MAPT (0.65) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6031714 0.89 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8090310 0.85 POLB (0.51) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL8098928 0.85 MAPT (0.44) MAPTKMT2AMEN1
SCHEMBL11026073 0.84 MAPT (0.43) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8089677 0.81 MAPT (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8103262 0.79 MAPT (0.62) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8099209 0.77 MAPT (0.55) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8082058 0.77 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed