SCHEMBL6272380

SCHEMBL6272380

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC27A2 O14975 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL6266186 0.89 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6277508 0.75 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6275168 0.75 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6275163 0.74 ADAMTS5 (0.43) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6277028 0.73 MMP9 (0.42) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6276393 0.72 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6277477 0.72 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6277493 0.72 ADAMTS5 (0.42) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6272222 0.71 ADAMTS5 (0.43) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6276944 0.71 ALDH1A1 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA

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 claimed
Send feedback