SCHEMBL8299564

SCHEMBL8299564

O=C(Oc1ccc(OC(=O)c2ccsc2B(O)O)c(OC(=O)c2ccsc2B(O)O)c1)c1ccsc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 7/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ ESR1 P03372 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SENP8 Q96LD8 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
SCHEMBL8297850 0.74 KMT2A (0.43) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14645263 0.72 KMT2A (0.49) KDM4EPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL8298515 0.70 KMT2A (0.47) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL8299594 0.70 — —
SCHEMBL3961199 0.67 MEN1 (0.44) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL31613086 0.66 MEN1 (0.43) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL3788448 0.66 PTK2 (0.38) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL4654073 0.65 KMT2A (0.39) MAPTPOLBMAPK1KMT2AESR1
SCHEMBL18165232 0.64 KMT2A (0.50) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL17933786 0.63 KMT2A (0.69) MAPTPOLBKMT2AALDH1A1ESR1

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-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
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