SCHEMBL20646249

SCHEMBL20646249

Nc1nc2[nH]c(SCCSc3nc4c(=O)[nH]c(N)nc4n3O)nc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 9/20 0.37
▸ TK1 P04183 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPRT1 P00492 5/20 0.35

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
SCHEMBL12820642 0.78 HSD17B10 (0.43) PNPTK1KDM4EALDH1A1LMNA
SCHEMBL12820579 0.75 HTT (0.46) PNPKDM4EALDH1A1LMNAGLA
SCHEMBL12820575 0.72 MEN1 (0.45) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL23920795 0.71 PNP (0.52) PNPTK1HSD17B10HPRT1
SCHEMBL12820769 0.69 ALDH1A1 (0.47) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL10007309 0.67 KDM4E (0.49) PNPKDM4EALDH1A1LMNAGLA
SCHEMBL23920942 0.67 PNP (0.50) PNPTK1HSD17B10HPRT1
SCHEMBL12820638 0.66 SCN9A (0.56) ALDH1A1
SCHEMBL12958939 0.65 DAO (0.50) PNPKDM4EALDH1A1LMNAGLA
SCHEMBL12820639 0.64 MAOB (0.52) ALDH1A1LMNA

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-2018041942-A9 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-01-17 — — WO disclosed
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