SCHEMBL6265491

SCHEMBL6265491

Cc1ccc(C2=NNC(C)(c3ccccn3)S2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 12/20 0.45
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL6266093 0.90 ADAMTS5 (0.40) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6271575 0.88 ADAMTS5 (0.35) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6264285 0.83 ADAMTS5 (0.43) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6264046 0.82 ALDH1A1 (0.41) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6266331 0.82 ADAMTS5 (0.42) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6268159 0.81 RAB9A (0.39) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL6262704 0.80 ADAMTS5 (0.49) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6265252 0.80 ADAMTS5 (0.46) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6267527 0.79 ADAMTS5 (0.42) ADAMTS5MAPTKDM4EALDH1A1TDP1
SCHEMBL6267113 0.78 KDM4E (0.41) ADAMTS5MAPTKDM4EALDH1A1TDP1

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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