SCHEMBL9412656

SCHEMBL9412656

COC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCN(C(=O)OCOC(C)=O)CC1)n2C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ RORC P51449 1/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ GAA P10253 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
SCHEMBL9412558 0.91 MAPT (0.45) MAPTRORCNPC1RAB9ASMN1; SMN2
SCHEMBL9412626 0.88 HTT (0.47) MAPTRORCNPC1RAB9ASMN1; SMN2
SCHEMBL9412583 0.87 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9412623 0.83 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9412511 0.78 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9412665 0.78 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9412452 0.78 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9412536 0.76 ITGB3 (0.46) MAPTSMN1; SMN2POLBIDH1GAA
SCHEMBL9412612 0.76 ITGB3 (0.42) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9188544 0.74 ITGB3 (0.57) MAPTPOLBGAA

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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