SCHEMBL5339968

SCHEMBL5339968

CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.77
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
KDM4E B2RXH2 3/20 0.77
RAB9A P51151 3/20 0.77
TP53 P04637 5/20 0.69
GAA P10253 3/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 2/20 0.64
RXFP1 Q9HBX9 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
EGFR P00533 1/20 0.56
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
PDGFRB P09619 1/20 0.56
SRC P12931 1/20 0.56
CDK2 P24941 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56

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
SCHEMBL2246115 0.87 MAPT (1.00) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL2245625 0.83 MAPT (0.76) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL13855422 0.83 MAPT (0.68) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL2248103 0.82 MAPT (0.74) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL13857585 0.81 MAPT (0.73) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL29401486 0.81 MAPT (0.69) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL12963179 0.81 MAPT (0.73) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL16602315 0.81 MAPT (0.72) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL28452457 0.81 MAPT (0.69) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL12980262 0.79 MAPT (0.69) MAPTMEN1KMT2AKDM4ERAB9A

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed