SCHEMBL9412583

SCHEMBL9412583

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 1/20 0.45
▸ HDAC6 Q9UBN7 4/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 0.92 MAPT (0.45) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412623 0.90 MAPT (0.46) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412656 0.87 MAPT (0.41) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412626 0.86 HTT (0.47) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412665 0.85 MAPT (0.45) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412511 0.85 MAPT (0.45) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9412452 0.84 MAPT (0.44) MAPTPOLBHDAC6NPC1RAB9A
SCHEMBL9412536 0.83 ITGB3 (0.46) MAPTPOLBSMN1; SMN2GAAIDH1
SCHEMBL9412609 0.81 HDAC1 (0.44) NPC1TP53HDAC1
SCHEMBL9188544 0.81 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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