SCHEMBL8528830

SCHEMBL8528830

[CH2]c1cn(CC(=O)NCC)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 2/20 0.47
STAT3 P40763 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL8532596 0.85 KMT2A (0.49) SMN1; SMN2KMT2AMEN1CYP3A4CYP2D6
SCHEMBL8528832 0.84 KMT2A (0.61) SMN1; SMN2TSHRKMT2AMEN1CYP3A4
SCHEMBL14318726 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL17227851 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL8527698 0.81 NPSR1 (0.45) SMN1; SMN2KMT2AMEN1CYP3A4CYP2D6
SCHEMBL14318729 0.81 KMT2A (0.67) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL8530608 0.80 KMT2A (0.48) SMN1; SMN2KMT2AMEN1CYP3A4CYP2D6
SCHEMBL8531842 0.79 GAA (0.68) SMN1; SMN2KMT2AMEN1HTTRAB9A
SCHEMBL3307790 0.79 KMT2A (0.60) TSHRKMT2AMEN1STAT3ALDH1A1
SCHEMBL8531486 0.77 IDO1 (0.58) SMN1; SMN2KMT2AMEN1STAT3L3MBTL1

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