SCHEMBL6277990

SCHEMBL6277990

CC1(c2ccc(Br)cc2)NN=C(c2ccccc2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 12/20 0.47
▸ SLC27A2 O14975 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 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
SCHEMBL6265246 0.89 ADAMTS5 (0.42) ADAMTS5SLC27A2ALDH1A1MAPK1MEN1
SCHEMBL6276393 0.89 ADAMTS5 (0.44) ADAMTS5SLC27A2ALDH1A1MAPK1MEN1
SCHEMBL6272349 0.87 ALDH1A1 (0.44) ADAMTS5SLC27A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6260436 0.85 MECP2 (0.47) ADAMTS5SLC27A2ALDH1A1MAPK1MEN1
SCHEMBL6274347 0.84 ADAMTS5 (0.47) ADAMTS5SLC27A2ALDH1A1MAPK1MEN1
SCHEMBL12010977 0.82 ADAMTS5 (0.49) ADAMTS5ALDH1A1LMNAMAPTTDP1
SCHEMBL6276922 0.80 KMT2A (0.51) ADAMTS5ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6262704 0.80 ADAMTS5 (0.49) ADAMTS5ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6274203 0.78 ALDH1A1 (0.49) ADAMTS5ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6267233 0.77 KMT2A (0.44) 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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