SCHEMBL28864121

SCHEMBL28864121

c1csc(NNCc2cscn2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
METAP2 P50579 1/20 0.33
RAB9A P51151 1/20 0.33
METAP1 P53582 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACP1 P24666 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL2226564 0.70
SCHEMBL22686267 0.67 FDPS (0.36) KDM4CALDH1A1PKMFDPS
SCHEMBL22593336 0.67
SCHEMBL18884481 0.65
SCHEMBL6991521 0.63
SCHEMBL13090072 0.62 KDM4C (0.39) KDM4CKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL21600874 0.61 GPR142 (0.43) KDM4CALDH1A1
SCHEMBL17025004 0.61 KDM4C (0.51) KDM4CKDM4EALDH1A1PKM
SCHEMBL1998771 0.61
SCHEMBL1369210 0.61 ALDH1A1 (0.50) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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
CN-108503604-A (4- alkyl -5- acyl group -2- thiazoles) hydazone derivative and its medical usage 湖南大学 2018-09-07 CN disclosed