SCHEMBL6694058

SCHEMBL6694058

CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(C)cccc4s3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.84
MEN1 O00255 8/20 0.84
KMT2A Q03164 8/20 0.84
KDM4E B2RXH2 7/20 0.84
SMN1; SMN2 Q16637 6/20 0.84
LMNA P02545 6/20 0.84
HTT P42858 5/20 0.84
TDP1 Q9NUW8 3/20 0.84
HSD17B10 Q99714 3/20 0.78
HPGD P15428 2/20 0.78
RXFP1 Q9HBX9 1/20 0.78
MAPK1 P28482 5/20 0.68
ALDH1A1 P00352 4/20 0.68
USP2 O75604 2/20 0.68
ESR1 P03372 1/20 0.68
TP53 P04637 2/20 0.66
POLB P06746 1/20 0.66
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.57

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
SCHEMBL6691573 0.77 LMNA (0.66) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12979896 0.76 KDM4E (0.76) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12980595 0.76 KDM4E (0.72) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL665000 0.75 TP53 (0.81) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12136724 0.75 NFKB1 (0.67) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6687323 0.74 MAPT (0.81) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4920382 0.74 MAPT (0.65) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5713545 0.73 MAPT (0.67) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6684638 0.73 MAPT (0.84) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19680027 0.72 HSD17B10 (0.61) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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-2004078115-A2 BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA, INCORPORATED (US) 2004-09-16 WO disclosed