SCHEMBL7469367

SCHEMBL7469367

O=[N+]([O-])c1cc2c(NCCc3ccc(F)cc3)ncnc2cc1N1CCCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTR6 P50406 2/20 0.42
CDK1 P06493 3/20 0.39
MAPK1 P28482 1/20 0.39
WDR5 P61964 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 1/20 0.37
USP10 Q14694 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
USP13 Q92995 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 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
SCHEMBL7469384 0.97 HTT (0.46) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7466801 0.92 HTT (0.48) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7473662 0.92 USP10 (0.47) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7471389 0.92 MAPT (0.41) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7467064 0.92 HTR6 (0.52) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7466302 0.89 HTT (0.45) MAPTLMNAGAAHTTALDH1A1
SCHEMBL7472747 0.88 HTT (0.49) MAPTHTTALDH1A1HTR6CDK1
SCHEMBL7464149 0.88 HTR6 (0.44) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL7471116 0.88 HTT (0.52) MAPTHTTHTR6WDR5KMT2A
SCHEMBL7463091 0.88 USP10 (0.50) MAPTLMNAGAAHTTALDH1A1

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