SCHEMBL25028503

SCHEMBL25028503

C=CCC(NC(=O)Nc1ccc2cc[nH]c2c1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)CCS2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
PYGL P06737 1/20 0.33
STING1 Q86WV6 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGER3 P43115 1/20 0.32
PDE7A Q13946 1/20 0.31

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
SCHEMBL30248489 1.00 MAPT (0.35) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL25028043 0.88 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL30248562 0.88 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL29978483 0.82 ALDH1A1 (0.41) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL23769463 0.82 ALDH1A1 (0.41) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL25028042 0.79 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL29227011 0.79 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL29227188 0.79 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL30248409 0.79 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL29227209 0.79 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019738-A Small molecule urea derivatives as STING antagonists 库拉德夫制药私人有限公司 2024-05-10 CN claimed
WO-2023017452-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed