SCHEMBL8528832

SCHEMBL8528832

CCNC(=O)Cn1cc(C)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
STAT3 P40763 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL14318726 0.85 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2RAB9AHTT
SCHEMBL8532599 0.85 KMT2A (0.64) KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL8528830 0.84 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL17227851 0.84 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2RAB9AHTT
SCHEMBL14318729 0.82 KMT2A (0.67) KMT2AMEN1SMN1; SMN2HTTL3MBTL1
SCHEMBL10203422 0.80 KMT2A (0.66) KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL8530610 0.80 KMT2A (0.69) KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL3307798 0.80 KMT2A (0.74) KMT2AMEN1STAT3HDAC1HDAC2
SCHEMBL8531844 0.79 GAA (0.69) KMT2AMEN1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8531490 0.78 KMT2A (0.68) KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6

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 5 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
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed