SCHEMBL8528867

SCHEMBL8528867

[CH2]c1cn(C(=O)NC)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
EGFR P00533 2/20 0.39
SRC P12931 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLK1 P53350 1/20 0.38
CREBBP Q92793 1/20 0.38
NR4A2 P43354 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL8528870 0.83 TFPI2 (0.47) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8527698 0.82 NPSR1 (0.45) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL887129 0.80 HTT (0.54) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12479933 0.80 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL8076272 0.79 KMT2A (0.67) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL13967298 0.79 KMT2A (0.40) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8530588 0.77 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL12481080 0.75 KMT2A (0.38) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8532596 0.74 KMT2A (0.49) KMT2AMEN1L3MBTL1ALDH1A1THRB
SCHEMBL9848044 0.74 KMT2A (0.46) KMT2AMEN1KDM4EL3MBTL1ALDH1A1

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
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed