SCHEMBL6278050

SCHEMBL6278050

Cc1cccc(C2=NNC(C)(c3ccco3)S2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ DOT1L Q8TEK3 1/20 0.36
▸ ENPP3 O14638 2/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NOTUM Q6P988 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
SCHEMBL6266369 0.85 ADAMTS5 (0.39) ADAMTS5NPC1RAB9AMAPTL3MBTL1
SCHEMBL6277544 0.80 KDM4E (0.34) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL6278562 0.79 ADAMTS5 (0.35) ADAMTS5NPC1RAB9AMAPTL3MBTL1
SCHEMBL6262688 0.73 KMT2A (0.36) NPC1RAB9AMAPTL3MBTL1POLB
SCHEMBL6274449 0.65 RAB9A (0.33) SIRT1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6274347 0.63 ADAMTS5 (0.47) ADAMTS5NPC1RAB9AMAPTL3MBTL1
SCHEMBL6274203 0.62 ALDH1A1 (0.49) ADAMTS5NPC1RAB9AMAPTL3MBTL1
SCHEMBL11064449 0.62 PRMT6 (0.54) SIRT1NPC1RAB9AAPOBEC3GMAPT
SCHEMBL6274201 0.60 ADAMTS5 (0.37) ADAMTS5MAPTRECQLKDM4EALDH1A1
SCHEMBL6260436 0.58 MECP2 (0.47) ADAMTS5NPC1RAB9AMAPTL3MBTL1

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 disclosed
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