SCHEMBL8288687

SCHEMBL8288687

CC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
FLT3 P36888 8/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
ANO1 Q5XXA6 1/20 0.45

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
SCHEMBL5459748 0.83 FLT3 (0.70) FLT3KMT2AKDM4EMEN1CYP1A2
SCHEMBL8289710 0.83 KDM4E (0.70) FLT3KMT2AKDM4EMEN1CYP1A2
SCHEMBL8288837 0.83 PTPRC (0.52) PTPRCPTPN2PTPN1FLT3KMT2A
SCHEMBL8290436 0.82 FLT3 (0.68) FLT3KMT2AKDM4EMEN1CYP1A2
SCHEMBL14136793 0.81 FLT3 (0.52) PTPRCPTPN2PTPN1FLT3KMT2A
SCHEMBL13151117 0.80 PTPRC (0.53) PTPRCPTPN2PTPN1FLT3KMT2A
SCHEMBL8290858 0.79 ALDH1A1 (0.50) PTPRCPTPN2PTPN1FLT3KMT2A
SCHEMBL5450990 0.79 PTPN1 (0.51) PTPN1FLT3KMT2AKDM4EMEN1
SCHEMBL5453359 0.78 CFTR (0.64) PTPRCPTPN2PTPN1FLT3KMT2A
SCHEMBL349390 0.78 KCNH2 (0.62) PTPRCPTPN2PTPN1FLT3KMT2A

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