SCHEMBL27768385

SCHEMBL27768385

O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)n[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 1/20 0.46
IDO1 P14902 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ADORA2A P29274 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE4B Q07343 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL27768325 0.92 LMNA (0.53) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL27789664 0.87 MAPT (0.48) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL25337392 0.87 MAPT (0.51) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28114539 0.80 RAB9A (0.53) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL9976036 0.80 LMNA (0.68) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL13426507 0.75 LMNA (0.69) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL15472022 0.75 LMNA (0.64) LMNAALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL12371178 0.75 TSHR (0.49) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL28944524 0.74 AR (0.49) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL20239625 0.74 NR1H2 (0.49) LMNAALDH1A1HPGDGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100572381-C Pyrazolonaphthyridine derivative ASKA PHARM CO LTD (JP) 2009-12-23 CN disclosed