SCHEMBL6266186

SCHEMBL6266186

CC(=O)C1(C)NN=C(c2ccccc2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 13/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC27A2 O14975 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL6272380 0.89 ADAMTS5 (0.46) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6275163 0.76 ADAMTS5 (0.43) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6277507 0.74 LMNA (0.39) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL6275168 0.74 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6277477 0.71 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6277508 0.71 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6277493 0.71 ADAMTS5 (0.42) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6272222 0.70 ADAMTS5 (0.43) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6276944 0.70 ALDH1A1 (0.44) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6276890 0.69 ADAMTS5 (0.40) ADAMTS5ALDH1A1MEN1KMT2ASMN1; SMN2

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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