SCHEMBL8712882

SCHEMBL8712882

CC(C)(C)c1nc(Sc2nnc(-c3cccs3)n2CCCCCS(C)(=O)=O)sc1Br.CS(=O)(=O)CCCCCn1c(Sc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1.CS(=O)(=O)CCCCCn1c(Sc2nc(-c3ccccc3)cs2)nnc1-c1cccs1.Cc1csc(Sc2nnc(-c3cccs3)n2CCCCCS(C)(=O)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
PLA2G1B P04054 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8050349 0.86 MAPT (0.42) MAPTGAASMN1; SMN2LMNAPLA2G1B
SCHEMBL8032404 0.86 MEN1 (0.36) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8050920 0.83 RAB9A (0.39) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8042652 0.80 KDM4E (0.40) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8044219 0.77 TSHR (0.38) GAASMN1; SMN2LMNAHTTRAB9A
SCHEMBL8044119 0.75 PTGS2 (0.35) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8047418 0.73 KMT2A (0.38) MAPTGAASMN1; SMN2RAB9AKDM4E
SCHEMBL8041811 0.73 ALDH1A1 (0.50) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8033984 0.73 RAB9A (0.45) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL8033836 0.72 TSHR (0.47) MAPTGAASMN1; SMN2LMNAPLA2G1B

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed