SCHEMBL9412727

SCHEMBL9412727

Cn1c(CCC2CCNCC2)nc2cc(C(=O)NCCC(=O)OC3CCCCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ITGB3 P05106 6/20 0.42
▸ ITGA2B P08514 6/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ITGA2 P17301 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRB P10828 1/20 0.40

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) POLBHDAC6ITGB3ITGA2BMAPT
SCHEMBL9188544 0.86 ITGB3 (0.57) POLBITGB3ITGA2BMAPTITGA2
Bromide SCHEMBL9412462 0.86 ITGB3 (0.56) POLBITGB3ITGA2BMAPTITGA2
SCHEMBL9412612 0.85 ITGB3 (0.42) POLBHDAC6ITGB3ITGA2BALDH1A1
SCHEMBL9412665 0.85 MAPT (0.45) POLBHDAC6ITGB3ITGA2BMAPT
SCHEMBL9412511 0.85 MAPT (0.45) POLBITGB3ITGA2BLMNAMAPT
SCHEMBL9412452 0.84 MAPT (0.44) POLBHDAC6ITGB3ITGA2BMAPT
SCHEMBL9412536 0.83 ITGB3 (0.46) POLBITGB3ITGA2BMAPTITGA2
SCHEMBL9412548 0.83 HPGD (0.45) HDAC6ITGB3ITGA2BALDH1A1LMNA
SCHEMBL9412583 0.81 MAPT (0.47) POLBHDAC6ALDH1A1LMNAMAPT

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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