SCHEMBL29044449

SCHEMBL29044449

Cc1nc(Nc2cccnc2)sc1CCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
PIK3CG P48736 2/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
CLK1 P49759 1/20 0.42
KDR P35968 1/20 0.42
CDK5 Q00535 5/20 0.42
CDK5R1 Q15078 5/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL30522185 1.00 MAPT (0.47) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL29044470 0.87 MAPT (0.47) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL29044461 0.85 GAA (0.59) MAPTSMN1; SMN2KDM4EHPGDTRPV4
SCHEMBL29044443 0.83 ALDH1A1 (0.43) MAPTSMN1; SMN2KDM4EHPGDTRPV4
SCHEMBL30522187 0.80 PTGDR2 (0.53) MAPTSMN1; SMN2KDM4EHPGDPIK3CG
SCHEMBL29044481 0.80 PTGDR2 (0.53) MAPTSMN1; SMN2KDM4EHPGDPIK3CG
SCHEMBL29044477 0.77 PIK3CG (0.47) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL30522192 0.77 PIK3CG (0.47) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL29044465 0.76 MAPT (0.50) MAPTSMN1; SMN2KDM4EHPGDCASP1
SCHEMBL29044438 0.75 ALDH1A1 (0.54) MAPTSMN1; SMN2KDM4ETRPV4NPC1

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-116531373-A Thiazole compound, pharmaceutical composition and application thereof 上海日馨医药科技股份有限公司 2023-08-04 CN disclosed