SCHEMBL25650489

SCHEMBL25650489

CCOC(=O)c1nnc(-n2ccnc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
TBXAS1 P24557 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDC7 O00311 4/20 0.37
DBF4 Q9UBU7 4/20 0.37
CYP3A4 P08684 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL25650490 0.79 ADH5 (0.43) MEN1KMT2ATBXAS1HTTCYP3A4
SCHEMBL5868906 0.76 RAB9A (0.51) OGAKDM4EMEN1MITFALDH1A1
SCHEMBL5800533 0.71 HTT (0.71) KDM4EMEN1MITFALDH1A1MAPT
SCHEMBL29824206 0.71 MAPT (0.46) KDM4EMEN1MITFALDH1A1MAPT
Hydrochloric Acid SCHEMBL28276875 0.70 HTT (0.69) KDM4EMEN1MITFALDH1A1MAPT
SCHEMBL4315953 0.70 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL299130 0.70 ALDH1A1 (0.46) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL25417081 0.70 OGA (0.52) OGAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1818667 0.69 TBXAS1 (0.48) KDM4EALDH1A1TBXAS1CDC7DBF4
SCHEMBL25650163 0.69 STING1 (0.51) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA

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-2023103850-A1 SMALL MOLECULE STING AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION 中国科学院上海药物研究所 2023-06-15 WO disclosed