SCHEMBL28782272

SCHEMBL28782272

O=C(NCCO)c1c[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ LMNA P02545 5/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13894639 0.89 KDM4E (0.55) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL27774057 0.86 KDM4E (0.60) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL12330444 0.85 KDM4E (0.55) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL27774171 0.85 GABRA1 (0.57) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL28782276 0.85 PYGL (0.62) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL2445804 0.83 KDM4E (0.55) KDM4ELMNAHSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL2448160 0.83 KDM4E (0.54) KDM4ELMNAHSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL2444412 0.83 KDM4E (0.54) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL7845700 0.80 NHERF1 (0.61) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL2479663 0.78 KDM4E (0.68) KDM4EHSD17B10KMT2AMEN1ALDH1A1

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-101624371-A 4-carbostyril and 4H-1,4-benzothiazine derivatives and preparation method and application thereof UNIV CHINA PHARMA 2010-01-13 — — CN disclosed
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