SCHEMBL8711779

SCHEMBL8711779

CN(C)c1ccc(-n2nnnc2Sc2nc3c(Cl)cccc3s2)cc1.CN(C)c1ccc(-n2nnnc2Sc2nc3ccccc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 7/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 4/20 0.42
USP2 O75604 3/20 0.42
NPSR1 Q6W5P4 4/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 4/20 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
SCHEMBL8042026 0.94 HSP90AA1 (0.42) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8048239 0.90 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8042804 0.84 ALDH1A1 (0.49) ALDH1A1TSHRHPGDL3MBTL1MAPT
SCHEMBL8044231 0.81 HSP90AA1 (0.43) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8048101 0.81 HSP90AA1 (0.42) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8042580 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL8050711 0.80 ALDH1A1 (0.41) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8046562 0.78 ALDH1A1 (0.70) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8032713 0.78 HPGD (0.47) ALDH1A1TSHRHPGDL3MBTL1MAPT
SCHEMBL8048461 0.77 PTGS2 (0.43) ALDH1A1TSHRHPGDL3MBTL1MAPT

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