SCHEMBL6277471

SCHEMBL6277471

CCOC(=O)CC1(C)NN=C(c2ccccc2)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ADAMTS5 Q9UNA0 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL6277493 0.87 ADAMTS5 (0.42) LMNASMN1; SMN2L3MBTL1NPC1PKM
SCHEMBL6277028 0.80 MMP9 (0.42) LMNASMN1; SMN2L3MBTL1ALDH1A1ADAMTS5
SCHEMBL6277362 0.79 ADAMTS5 (0.40) LMNASMN1; SMN2L3MBTL1ALDH1A1ADAMTS5
SCHEMBL6302814 0.79 ADAMTS5 (0.44) LMNASMN1; SMN2L3MBTL1NPC1PKM
SCHEMBL6276944 0.78 ALDH1A1 (0.44) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL6276890 0.77 ADAMTS5 (0.40) LMNASMN1; SMN2L3MBTL1ALDH1A1ADAMTS5
SCHEMBL6278670 0.77 ALOX5 (0.40) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL6270609 0.76 ADAMTS5 (0.44) LMNASMN1; SMN2L3MBTL1ALDH1A1ADAMTS5
SCHEMBL6277477 0.76 ADAMTS5 (0.44) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL6271866 0.75 ADAMTS5 (0.41) LMNATRPM8SMN1; SMN2L3MBTL1ALDH1A1

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-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO disclosed
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