SCHEMBL29150308

SCHEMBL29150308

COc1ccc(Cn2ncc3c(C(F)(OCCCC(=O)O)C(F)F)cccc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 15/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL29150273 0.93 NPBWR1 (0.41) NPBWR1ALDH1A1LMNAMAPTHPGD
SCHEMBL27077886 0.81 NPBWR1 (0.42) NPBWR1ALDH1A1LMNAMAPTHPGD
SCHEMBL27435536 0.78 NPBWR1 (0.43) NPBWR1ALDH1A1LMNAMAPTHPGD
SCHEMBL27077806 0.76 NPBWR1 (0.42) NPBWR1LMNAMAPTHPGDMCHR1
SCHEMBL27077642 0.73 NPBWR1 (0.49) NPBWR1MCHR1PKMPKLR
SCHEMBL27435541 0.72 NPBWR1 (0.43) NPBWR1ALDH1A1LMNAMAPTHPGD
SCHEMBL27435547 0.71 NPBWR1 (0.53) NPBWR1MCHR1PKMPKLR
SCHEMBL27077739 0.70 NPBWR1 (0.44) NPBWR1MCHR1PKMPKLR
SCHEMBL27077803 0.69 NPBWR1 (0.56) NPBWR1MCHR1PKMPKLR
SCHEMBL27077708 0.68 NPBWR1 (0.41) NPBWR1ALDH1A1LMNAMAPTHPGD

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-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 — — CN disclosed
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