SCHEMBL6233624

SCHEMBL6233624

COC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N=CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
IKBKB O14920 1/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 1/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38

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
SCHEMBL6233622 1.00 APP (0.43) APPKMT2AMEN1MAPTRAB9A
SCHEMBL12374411 0.85 MAPT (0.44) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL1531291 0.84 MAPT (0.58) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL2309229 0.84 IKBKB (0.58) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL5255875 0.84 MAPT (0.58) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL2309235 0.84 IKBKB (0.58) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL1531292 0.84 MAPT (0.58) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL6229303 0.77 MAPT (0.67) APPKMT2AMEN1MAPTRAB9A
SCHEMBL6231357 0.73 MAPT (0.43) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL6231361 0.73 MAPT (0.43) KMT2AMEN1MAPTRAB9AKDM4E

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-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed