SCHEMBL30248604

SCHEMBL30248604

NCc1ccc2c(c1)OCC(=O)N2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
SCN9A Q15858 1/20 0.51
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
TSHR P16473 1/20 0.49
PIK3CG P48736 1/20 0.47
HTR6 P50406 1/20 0.46
POLB P06746 1/20 0.46
DRD4 P21917 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL29226904 1.00 BRD4 (0.56) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL29978712 0.85 BRD4 (0.57) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL758149 0.85 BRD4 (0.57) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL18497019 0.84 BRD4 (0.58) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL19030483 0.83 BRD4 (0.57) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL29227030 0.82 ITGB3 (0.54) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL29227346 0.81 ITGB3 (0.56) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL23768797 0.81 BRD4 (0.58) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL5914780 0.81 BRD4 (0.55) BRD4L3MBTL1SCN9AITGB3ITGA2B
SCHEMBL29979065 0.81 BRD4 (0.55) BRD4L3MBTL1SCN9AITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384268-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 EP disclosed
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 disclosed
WO-2023017452-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed