SCHEMBL7843791

SCHEMBL7843791

N#Cc1ccc(NCCNc2ccc([N+](=O)[O-])c(NCc3ccccc3)n2)nc1.Nc1ccc([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 3/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 3/20 0.40
PRKCQ Q04759 2/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KAT2B Q92831 1/20 0.37

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
SCHEMBL5100065 0.94 POLB (0.49) SIRT5POLBSMN1; SMN2EGFRHTT
SCHEMBL5100068 0.80 SMN1; SMN2 (0.70) SIRT5POLBSMN1; SMN2EGFRHTT
SCHEMBL7853508 0.80 MAPT (0.58) SIRT5POLBSMN1; SMN2EGFRHTT
SCHEMBL6087097 0.79 SIRT5 (0.54) SIRT5POLBSMN1; SMN2EGFRHTT
SCHEMBL7020535 0.76 SIRT5 (0.46) SIRT5MAPTPRKCQKDM4EALDH1A1
SCHEMBL507660 0.73 NTRK1 (0.56) POLBSMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL5091675 0.72 NPSR1 (0.47) SIRT5POLBSMN1; SMN2HTTMAPT
SCHEMBL5759562 0.68 POLB (0.55) SIRT5POLBSMN1; SMN2EGFRHTT
SCHEMBL18319382 0.68 MAPT (0.64) SIRT5EGFRHTTMAPTPRKCQ
SCHEMBL29392518 0.68 FGFR4 (0.49) HTTMAPTGSK3B

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-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed