SCHEMBL7853508

SCHEMBL7853508

Nc1ccc([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
EGFR P00533 2/20 0.55
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCQ Q04759 1/20 0.48
POLB P06746 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SIRT5 Q9NXA8 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL18319382 0.86 MAPT (0.64) MAPTEGFRHTTLMNAMAPK1
SCHEMBL20715310 0.83 EGFR (0.52) MAPTEGFRHTTLMNAMAPK1
SCHEMBL17807848 0.83 EGFR (0.52) MAPTEGFRHTTLMNAMAPK1
SCHEMBL6087097 0.81 SIRT5 (0.54) MAPTEGFRHTTLMNAMAPK1
SCHEMBL7843791 0.80 SIRT5 (0.45) MAPTEGFRHTTLMNAMAPK1
SCHEMBL27993407 0.79 PGK1 (0.49) MAPTHTTLMNAMAPK1ALDH1A1
SCHEMBL28946188 0.79 EGFR (0.48) MAPTEGFRHTTLMNAMAPK1
SCHEMBL28946156 0.79 MAPT (0.50) MAPTEGFRHTTLMNAMAPK1
SCHEMBL5759562 0.77 POLB (0.55) MAPTEGFRHTTLMNAMAPK1
SCHEMBL31631301 0.77 NPC1 (0.74) MAPTEGFRHTTLMNASMN1; SMN2

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