SCHEMBL5785698

SCHEMBL5785698

[CH]c1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
PTPN11 Q06124 1/20 0.63
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 7/20 0.61
LMNA P02545 5/20 0.61
KDM4E B2RXH2 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
S1PR4 O95977 1/20 0.58
KCNH2 Q12809 2/20 0.57
NPC1 O15118 1/20 0.56
POLB P06746 3/20 0.55
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL5784045 0.85 PTPN1 (0.82) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL5784054 0.82 PTPN1 (0.68) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL3053397 0.82 KMT2A (0.60) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL13088584 0.81 KMT2A (0.59) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL13088595 0.81 KCNH2 (0.69) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL13088582 0.80 KMT2A (0.58) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL3054924 0.80 KMT2A (0.58) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL31337212 0.80 PTPN1 (0.64) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL13088590 0.79 KCNH2 (0.57) PTPN1PTPN11KMT2AMEN1ALDH1A1
SCHEMBL3058933 0.79 KMT2A (0.57) PTPN1PTPN11KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723132-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-22 EP disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 WO disclosed