SCHEMBL7476400

SCHEMBL7476400

O=[N+]([O-])c1cc2c(NCCc3cccs3)ncnc2cc1N1CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
WDR5 P61964 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PIK3CA P42336 1/20 0.38
HTR6 P50406 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
KHK P50053 1/20 0.35

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
SCHEMBL7462496 0.97 WDR5 (0.40) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7468292 0.92 LMNA (0.46) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7475796 0.88 LMNA (0.49) MAPTALDH1A1MAPK1LMNAKMT2A
SCHEMBL7476281 0.88 HRH4 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7467064 0.87 HTR6 (0.52) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7469030 0.86 WDR5 (0.44) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7464425 0.85 HRH4 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7470159 0.85 HRH4 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7469367 0.84 MAPT (0.44) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7466801 0.84 HTT (0.48) MAPTALDH1A1SMN1; SMN2LMNAGAA

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed