SCHEMBL31079415

SCHEMBL31079415

COC(=O)c1cc(/C=N/O)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
PKM P14618 1/20 0.55
GFER P55789 2/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 6/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47

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
SCHEMBL25706410 1.00 KMT2A (0.55) KMT2AMEN1PKMGFERNPC1
SCHEMBL3595919 1.00 KMT2A (0.55) KMT2AMEN1PKMGFERNPC1
SCHEMBL3595923 1.00 KMT2A (0.55) KMT2AMEN1PKMGFERNPC1
SCHEMBL31515000 0.87 ALDH1A1 (0.62) KMT2AMEN1PKMGFERNPC1
SCHEMBL30392364 0.87 ALDH1A1 (0.62) KMT2AMEN1PKMGFERNPC1
SCHEMBL25236997 0.87 ALDH1A1 (0.62) KMT2AMEN1PKMGFERNPC1
SCHEMBL25272508 0.87 ALDH1A1 (0.62) KMT2AMEN1PKMGFERNPC1
SCHEMBL15755020 0.86 SRC (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15755021 0.86 SRC (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31079434 0.85 KDM4E (0.53) KMT2AMEN1PKMGFERNPC1

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
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed