SCHEMBL6277126

SCHEMBL6277126

Cc1ccc(C2=NNC(C)(c3ccco3)S2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ ADAMTS5 Q9UNA0 12/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL6266369 0.89 ADAMTS5 (0.39) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6278562 0.88 ADAMTS5 (0.35) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6277544 0.86 KDM4E (0.34) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6278050 0.85 SIRT1 (0.38) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6277489 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6274203 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6262704 0.77 ADAMTS5 (0.49) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6262688 0.76 KMT2A (0.36) ALDH1A1MAPTKDM4EL3MBTL1HPGD
SCHEMBL6274808 0.76 ADAMTS5 (0.41) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6274347 0.74 ADAMTS5 (0.47) ALDH1A1MAPTKDM4ETDP1GAA

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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