SCHEMBL4239181

SCHEMBL4239181

C[C@H](N)C(=O)NCc1cccc(-n2cccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CARM1 Q86X55 12/20 0.51
PI4KB Q9UBF8 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
GLS O94925 1/20 0.45

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
SCHEMBL4239185 1.00 LMNA (0.58) LMNACARM1PI4KBKDM4EMAPK1
SCHEMBL15602694 0.79 CARM1 (0.57) CARM1
SCHEMBL14438334 0.78 LMNA (0.53) LMNAPI4KBKDM4EMAPK1GLS
SCHEMBL21583900 0.78 LMNA (0.56) LMNAGLS
SCHEMBL4404243 0.78 LMNA (0.54) LMNAPI4KBKDM4EMAPK1KLKB1
SCHEMBL17864341 0.76 LMNA (0.60) LMNAPI4KBKDM4EMAPK1KLKB1
SCHEMBL13452467 0.76 LMNA (0.57) LMNAPI4KBKDM4EMAPK1KLKB1
SCHEMBL12643749 0.75 PPID (0.59) LMNAPI4KBKDM4EMAPK1KLKB1
SCHEMBL8132918 0.75 LMNA (0.48) LMNAPI4KBKDM4EMAPK1KLKB1
SCHEMBL14987434 0.74 LMNA (0.65) LMNAPI4KBGLS

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-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed