SCHEMBL8926778

SCHEMBL8926778

[CH2]c1cccc(NC(=O)NC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
DDX3X O00571 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
MGLL Q99685 1/20 0.46
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL16488795 0.81 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ADDX3X
SCHEMBL839236 0.81 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2632867 0.79 SAE1 (0.68) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17589369 0.79 KMT2A (0.66) ALDH1A1MAPTMEN1KMT2ADDX3X
SCHEMBL18814669 0.79 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7097165 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7477649 0.79 SAE1 (0.50) ALDH1A1MAPTMEN1KMT2ADDX3X
SCHEMBL28145171 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28332617 0.79 GPR35 (0.50) ALDH1A1MAPTMEN1KMT2ADDX3X
SCHEMBL8830833 0.78 KMT2A (0.79) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed