SCHEMBL6272309

SCHEMBL6272309

CC1(c2cccnc2)NN=C(c2ccccc2)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 7/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ SLC27A2 O14975 1/20 0.34

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
SCHEMBL6267381 0.89 ADAMTS5 (0.41) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6278069 0.88 NPC1 (0.38) ADAMTS5ALDH1A1NPY5RRAB9ACYP19A1
SCHEMBL6265204 0.79 ADAMTS5 (0.37) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6262704 0.78 ADAMTS5 (0.49) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6277990 0.77 ADAMTS5 (0.47) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6260436 0.77 MECP2 (0.47) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6274347 0.75 ADAMTS5 (0.47) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6276922 0.72 KMT2A (0.51) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6387706 0.71 ADAMTS5 (0.40) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6277257 0.70 ADAMTS5 (0.58) ADAMTS5MAPTL3MBTL1ALDH1A1SMN1; 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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