SCHEMBL9602045

SCHEMBL9602045

CSc1ncnc2onc(C)c12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 4/20 0.61
GFER P55789 1/20 0.61
ALDH1A1 P00352 6/20 0.58
HTT P42858 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.50
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 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
SCHEMBL13064192 0.76 POLB (0.57) MAPTLMNAGFERALDH1A1HTT
SCHEMBL4784582 0.74 ALDH1A1 (0.51) MAPTLMNAGFERALDH1A1HTT
SCHEMBL4733727 0.74 MAPT (0.55) MAPTLMNAGFERALDH1A1HTT
SCHEMBL14088821 0.72 POLB (0.66) MAPTLMNAGFERALDH1A1HTT
SCHEMBL2668504 0.70 ALDH1A1 (0.44) MAPTLMNAGFERALDH1A1HTT
SCHEMBL6942086 0.65 TP53 (0.34) MAPTLMNAGFERALDH1A1HTT
SCHEMBL3866807 0.60 PARP1 (0.42) MAPTLMNAGFERALDH1A1HTT
SCHEMBL4064517 0.60 MAPT (0.43) MAPTLMNAALDH1A1HTTL3MBTL1
SCHEMBL5064766 0.60 TP53 (0.43) LMNAALDH1A1CYP1A2
SCHEMBL23264535 0.60 ALDH1A1 (0.38) LMNAALDH1A1

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
EP-0225182-B1 CEPHALOSPORIN COMPOUNDS ICI PHARMA (FR) 1993-02-10 EP disclosed
US-5013731-A Bactericides ICI PHARMA (FR) 1991-05-07 US disclosed
EP-0225182-A2 Cephalosporin compounds ICI PHARMA (FR) 1987-06-10 EP disclosed