SCHEMBL29044490

SCHEMBL29044490

CCOC(=O)Cc1sc(NC(=O)c2ccncc2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 1/20 0.67
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 4/20 0.51
RXFP1 Q9HBX9 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.51
CHRM4 P08173 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CLK1 P49759 1/20 0.48
RAB9A P51151 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL29044452 0.86 TP53 (0.70) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4566590 0.85 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2HTTALDH1A1NPC1
SCHEMBL29044451 0.83 MAPT (0.51) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL29044454 0.83 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL3582251 0.81 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL29044468 0.80 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL29044465 0.74 MAPT (0.50) KDM4ESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL29044466 0.74 MAPT (0.65) KDM4ESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL29044494 0.74 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL3589387 0.73 SMN1; SMN2 (0.70) KDM4ESMN1; SMN2HTTALDH1A1LMNA

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