SCHEMBL11381745

SCHEMBL11381745

O=C1CCC(=[Se])N1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL370611 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL23841260 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL718072 0.76 KMT2A (0.63) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL8938324 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL15834910 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL29249691 0.73 KMT2A (0.54) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL28954353 0.72 KMT2A (0.50) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL5213974 0.72 HPGD (0.70) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL30293223 0.72 HPGD (0.70) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL11478927 0.71 CA12 (0.67) KMT2AMEN1ALDH1A1CA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848488-B Method for synthesizing 3-selenoindole derivative 温州医科大学 2022-12-27 — — CN disclosed
CN-111848488-A Method for synthesizing 3-selenoindole derivative 温州医科大学 2020-10-30 — — CN disclosed
US-4267117-A INTERMEDIATES FOR 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1981-05-12 — — US disclosed
US-4206131-A 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1980-06-03 — — US disclosed
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