SCHEMBL5821182

SCHEMBL5821182

C[C@H](N[C@@H]1C(=O)N(C)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
MAPT P10636 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
OPRK1 P41145 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
RECQL P46063 1/20 0.31
CACNA1F O60840 1/20 0.31

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
SCHEMBL5792160 1.00 KDM1A (0.46) KDM1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5792162 0.81 XIAP (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5806819 0.81 XIAP (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5791214 0.81 KDM1A (0.49) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL5792552 0.81 KDM1A (0.49) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL5791886 0.79 KDM1A (0.47) KDM1ASMN1; SMN2OPRK1
SCHEMBL5793421 0.74 KDM1A (0.47) KDM1AMAPTGAA
SCHEMBL5791529 0.74 KDM1A (0.47) KDM1AMAPTGAA
SCHEMBL5790510 0.74 KDM1A (0.47) KDM1AMAPTGAA
SCHEMBL5794903 0.74 KDM1A (0.53) KDM1AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed