SCHEMBL6521451

SCHEMBL6521451

O=C(O)C[S+]([O-])Nc1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ GAA P10253 4/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
Hydrochloric Acid SCHEMBL28161064 0.68 KMT2A (0.48) KMT2AMEN1GAAAKR1B1NPC1
SCHEMBL30536400 0.68 KMT2A (0.48) KMT2AMEN1GAAAKR1B1NPC1
SCHEMBL453632 0.68 KMT2A (0.48) KMT2AMEN1GAAAKR1B1NPC1
SCHEMBL4361189 0.67 KDM1A (0.62) KMT2AMEN1GAANPC1HTT
Catechol SCHEMBL17157061 0.66 AKR1B1 (0.58) KMT2AMEN1GAAAKR1B1NPC1
SCHEMBL3207752 0.66 ALDH1A1 (0.66) KMT2AMEN1GAAAKR1B1NPC1
Ethylene SCHEMBL610090 0.66 KMT2A (0.46) KMT2AMEN1GAAAKR1B1NPC1
SCHEMBL612151 0.65 NPC1 (0.61) KMT2AMEN1GAANPC1HTT
SCHEMBL9850232 0.64 TDP1 (0.61) KMT2AMEN1GAANPC1RAB9A
Ethylene SCHEMBL18691787 0.64 KMT2A (0.44) KMT2AMEN1GAAAKR1B1NPC1

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
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 — — US disclosed
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