SCHEMBL6266093

SCHEMBL6266093

CC1(c2ccccn2)NN=C(c2ccccc2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 13/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SLC27A2 O14975 1/20 0.36
▸ KIF11 P52732 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SLC11A2 P49281 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
SCHEMBL6265491 0.90 ADAMTS5 (0.45) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6271575 0.89 ADAMTS5 (0.35) ADAMTS5ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6268159 0.85 RAB9A (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL6265204 0.84 ADAMTS5 (0.37) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6265252 0.83 ADAMTS5 (0.46) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6276626 0.81 ADAMTS5 (0.51) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6276393 0.79 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6264285 0.78 ADAMTS5 (0.43) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6265246 0.76 ADAMTS5 (0.42) ADAMTS5ALDH1A1MEN1KMT2ALMNA
SCHEMBL6272309 0.74 ADAMTS5 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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