SCHEMBL9412740

SCHEMBL9412740

COc1cc(OC)nc(OC(C=O)C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.43
EDNRA P25101 17/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9412038 0.78 EDNRB (0.43) EDNRBEDNRAL3MBTL1LMNASMN1; SMN2
SCHEMBL9411998 0.73 EDNRB (0.46) EDNRBEDNRAL3MBTL1
SCHEMBL9411994 0.73 EDNRB (0.46) EDNRBEDNRAL3MBTL1
SCHEMBL9367683 0.72 EDNRB (0.66) EDNRBEDNRALMNATDP1
SCHEMBL7811183 0.71 EDNRB (0.55) EDNRBEDNRA
SCHEMBL9372708 0.71 EDNRB (0.64) EDNRBEDNRALMNATDP1
SCHEMBL9412025 0.71 EDNRB (0.41) EDNRBEDNRAL3MBTL1LMNASMN1; SMN2
SCHEMBL14298980 0.71 L3MBTL1 (0.46) EDNRBEDNRAL3MBTL1LMNASMN1; SMN2
SCHEMBL6335452 0.70 L3MBTL1 (0.48) EDNRBEDNRAL3MBTL1LMNASMN1; SMN2
SCHEMBL7825117 0.70 EDNRB (0.52) EDNRBEDNRALMNATDP1

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
EP-0630890-A2 Pyrimidine derivatives NIHON BAYER AGROCHEM K.K. (JP) 1994-12-28 EP disclosed