SCHEMBL25829733

SCHEMBL25829733

Nc1cc(C(=O)O)c(C2=C3C=CC(O)C=C3Oc3cc(O)ccc32)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.34
▸ BRCA1 P38398 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ YWHAG P61981 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL14005740 0.89 HSD17B10 (0.35) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL22193121 0.85 HSD17B10 (0.47) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL23425343 0.83 MEN1 (0.37) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL12515067 0.82 CA1 (0.33) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL22651668 0.81 HSD17B10 (0.31) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL19117713 0.78 CYP2C9 (0.34) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL27517452 0.73 POLB (0.45) HSD17B10BRCA1MEN1USP2POLB
SCHEMBL21319383 0.73 F2 (0.32) —
SCHEMBL23683711 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL18710446 0.72 KIT (0.37) HSP90AA1ALDH1A1

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-2023132337-A1 FLUORESCENT STAINING METHOD 国立大学法人大阪大学 2023-07-13 — — WO disclosed
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