SCHEMBL9412612

SCHEMBL9412612

CC(C)COC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.42
▸ ITGA2B P08514 6/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ITGA2 P17301 1/20 0.41
▸ BCHE P06276 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9412623 0.90 MAPT (0.46) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9188544 0.86 ITGB3 (0.57) ITGB3ITGA2BPOLBMAPTITGA2
Bromide SCHEMBL9412462 0.86 ITGB3 (0.56) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412727 0.85 POLB (0.46) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412511 0.85 MAPT (0.45) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412665 0.85 MAPT (0.45) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412452 0.84 MAPT (0.44) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412557 0.83 MAPT (0.41) ITGB3ITGA2BPOLBMAPTCNR2
SCHEMBL9412536 0.83 ITGB3 (0.46) ITGB3ITGA2BPOLBMAPTITGA2
SCHEMBL9412583 0.81 MAPT (0.47) POLBMAPTGAAALDH1A1HDAC6

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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