SCHEMBL6418974

SCHEMBL6418974

[NH]C(=O)c1cc2cc(OCC3CCOCC3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
PDGFRB P09619 5/20 0.47
PDGFRA P16234 5/20 0.47
HRH3 Q9Y5N1 4/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.42
XDH P47989 1/20 0.42
CYP2D6 P10635 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40

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
SCHEMBL6435699 0.89 KDM4E (0.56) ITGB3ITGA2BPDGFRBPDGFRAHRH3
SCHEMBL6418981 0.88 ITGB3 (0.53) ITGB3ITGA2BPDGFRBPDGFRAHRH3
SCHEMBL18114411 0.80 KDM4E (0.62) ITGB3ITGA2BPDGFRBPDGFRAFGFR1
SCHEMBL31722181 0.78 KDM4E (0.47) ITGB3ITGA2BKDM4EALDH1A1CYP1A2
SCHEMBL19885733 0.77 KDM4E (0.58) ITGB3ITGA2BPDGFRBPDGFRAKDM4E
SCHEMBL6437692 0.76 ITGB3 (0.52) ITGB3ITGA2BPDGFRBPDGFRAHRH3
SCHEMBL18114449 0.75 KDM4E (0.67) ITGB3ITGA2BPDGFRBPDGFRAHRH3
SCHEMBL6415966 0.75 S1PR1 (0.44) XDH
SCHEMBL4248638 0.74 SLC6A2 (0.46) XDHCYP2D6
SCHEMBL6870508 0.74 PDGFRB (0.65) PDGFRBPDGFRAFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed