SCHEMBL6274590

SCHEMBL6274590

O=C(c1ccccc1)C1(c2ccccc2)NN=C(c2ccccc2)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 13/20 0.42
▸ SLC27A2 O14975 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ MMP12 P39900 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
SCHEMBL6277508 0.86 ADAMTS5 (0.44) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL6272380 0.69 ADAMTS5 (0.46) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL6266186 0.68 ADAMTS5 (0.44) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL6275163 0.64 ADAMTS5 (0.43) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL6277477 0.62 ADAMTS5 (0.44) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL8766967 0.61 LMNA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6272222 0.60 ADAMTS5 (0.43) ADAMTS5SLC27A2MEN1KMT2AALDH1A1
SCHEMBL2417682 0.57 CES1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5496475 0.57 LMNA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL31469563 0.55 LMNA (0.44) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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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