SCHEMBL6387706

SCHEMBL6387706

CC1(c2ccc3c(c2)CCCC3)NN=C(c2ccccc2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC27A2 O14975 1/20 0.38
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL6265246 0.80 ADAMTS5 (0.42) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6276393 0.80 ADAMTS5 (0.44) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6277990 0.76 ADAMTS5 (0.47) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6260436 0.76 MECP2 (0.47) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6274347 0.75 ADAMTS5 (0.47) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6275809 0.74 RAF1 (0.37) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL12010977 0.74 ADAMTS5 (0.49) ADAMTS5ALDH1A1LMNAMAPTTDP1
SCHEMBL6276922 0.72 KMT2A (0.51) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6262704 0.72 ADAMTS5 (0.49) ADAMTS5ALDH1A1MEN1LMNAMAPK1
SCHEMBL6272309 0.71 ADAMTS5 (0.38) ADAMTS5ALDH1A1MEN1LMNAMAPK1

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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