SCHEMBL13465986

SCHEMBL13465986

C=C(CNC(=O)c1ccnc(C)c1)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.52
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ME2 P23368 1/20 0.39
▸ ME1 P48163 1/20 0.39

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
SCHEMBL2312607 0.77 GAA (0.61) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL2312088 0.77 GAA (0.61) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL13465769 0.69 MAPT (0.51) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL12293861 0.68 SLC6A7 (0.52) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL12061585 0.68 KDM5A (0.47) GAALMNAKDM4EKDM1AHDAC1
SCHEMBL3801230 0.66 ME2 (0.61) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL23008892 0.66 SMN1; SMN2 (0.75) GAAKMT2ALMNAMAPTHTT
SCHEMBL10357586 0.66 HPGD (0.51) KMT2AMAPTKDM4EHTTALDH1A1
SCHEMBL23244257 0.65 ALDH1A1 (0.55) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL1543956 0.65 KDM4E (0.55) LMNAMAPTKDM4EHDAC1CYP3A4

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-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 — — WO disclosed
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