SCHEMBL27279255

SCHEMBL27279255

C=CCOC(=O)CCNC(N)=O.Nc1nc(N)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1836429 0.89 TSHR (0.47) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL5419294 0.73 TSHR (0.51) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL2359694 0.71 MAPT (0.44) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL8951332 0.70 TSHR (0.52) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL23031199 0.69 TSHR (0.47) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL56403 0.69 TSHR (0.63) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL12580545 0.69 TSHR (0.55) TSHRMAPTCACNA1BAPBA1ALDH1A1
Allyl Butanoate SCHEMBL28053958 0.68 TSHR (0.59) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL10435759 0.68 TSHR (0.53) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL2320799 0.67 TSHR (0.57) TSHRMAPTCACNA1BAPBA1ALDH1A1

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
CN-1005290-B Soft contact optical objective 拜尔公司 1989-09-27 — — CN disclosed
CN-85108859-A SOFT CONTACT-OPTICAL OBJECTS — 1986-06-10 — — CN disclosed
Send feedback