SCHEMBL5819637

SCHEMBL5819637

COC(=O)c1c(C)[nH]c(C(=O)C[S])c1C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 1/20 0.66
NPSR1 Q6W5P4 2/20 0.65
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.51
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL5816644 0.85 HPGD (0.73) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL26125904 0.85 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5819645 0.83 MAPT (0.66) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7256405 0.82 NPSR1 (0.79) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7252897 0.78 HPGD (0.83) MAPTALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL7258078 0.75 HPGD (0.83) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL13488596 0.74 NPSR1 (0.66) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL14236103 0.73 NPSR1 (0.70) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL17278348 0.72 NPSR1 (0.63) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL16090202 0.69 NPSR1 (0.59) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed