SCHEMBL8289709

SCHEMBL8289709

CC1CCc2c(sc(NC(=O)CC(C)(C)C)c2C(N)=O)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
DUSP3 P51452 1/20 0.69
PTPN5 P54829 1/20 0.69
PTPN11 Q06124 1/20 0.69
POLB P06746 2/20 0.67
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
RXFP1 Q9HBX9 1/20 0.60
REV1 Q9UBZ9 1/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
AIP O00170 1/20 0.57
SGTA O43765 1/20 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
SCHEMBL8289715 0.85 MAPT (0.67) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8289822 0.85 MAPT (0.68) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8289480 0.85 MAPT (0.61) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8288676 0.84 MAPT (0.66) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL3916246 0.84 MAPT (0.78) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8289719 0.83 MAPT (0.69) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL13574989 0.83 MAPT (0.72) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8290418 0.83 MAPT (0.65) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8289514 0.83 AIP (0.69) MAPTDUSP3PTPN5PTPN11POLB
SCHEMBL8288772 0.83 KDM4E (0.74) MAPTALDH1A1NPC1RAB9AKDM4E

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed