SCHEMBL6280973

SCHEMBL6280973

Cc1ccc(C2=NNC(Cc3ccccc3)(Cc3ccccc3)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 15/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ SREBF2 Q12772 1/20 0.35

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
SCHEMBL6262704 0.73 ADAMTS5 (0.49) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6278070 0.72 KMT2A (0.48) ADAMTS5ALDH1A1HPGDMAPTTDP1
SCHEMBL6276966 0.71 ALDH1A1 (0.52) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6274347 0.71 ADAMTS5 (0.47) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6265250 0.69 ADAMTS5 (0.45) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6277046 0.67 ADAMTS5 (0.52) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6270609 0.67 ADAMTS5 (0.44) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6277457 0.66 ADAMTS5 (0.46) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6275124 0.66 ADAMTS5 (0.45) ADAMTS5ALDH1A1KDM4EHPGDMAPT
SCHEMBL6264285 0.66 ADAMTS5 (0.43) ADAMTS5ALDH1A1KDM4EHPGDMAPT

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
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